 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer15_STD_wB97XD_augccpVDZ.in
 Output=26_junionone_conformer15_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-177872.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    177884.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer15_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer15_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.529110000000      0.738170000000      1.520718000000
  C                                                -2.026745000000      0.339638000000      0.135970000000
  C                                                -0.893023000000     -0.304125000000     -0.756918000000
  C                                                 0.504969000000      0.154007000000     -0.577709000000
  C                                                 1.520990000000     -0.584013000000     -0.125283000000
  C                                                 2.904373000000     -0.104314000000      0.063302000000
  O                                                 3.757841000000     -0.865833000000      0.478807000000
  C                                                -2.812629000000      1.468108000000     -0.506868000000
  C                                                -2.698185000000     -1.062721000000      0.151340000000
  C                                                -1.361985000000     -1.699049000000     -0.295661000000
  C                                                 3.243168000000      1.336395000000     -0.261310000000
  H                                                -3.468386000000     -1.147602000000     -0.616388000000
  H                                                -3.114217000000     -1.391151000000      1.103934000000
  H                                                -1.177274000000     -0.145648000000     -1.802742000000
  H                                                -0.785318000000     -2.067458000000      0.551823000000
  H                                                -1.402565000000     -2.481159000000     -1.051891000000
  H                                                -0.900793000000      1.630410000000      1.475839000000
  H                                                -0.942765000000     -0.055057000000      1.986408000000
  H                                                -2.377267000000      0.957410000000      2.173373000000
  H                                                -3.180409000000      1.181340000000     -1.494152000000
  H                                                -2.194867000000      2.362917000000     -0.622846000000
  H                                                -3.675004000000      1.740830000000      0.107109000000
  H                                                 0.686365000000      1.193470000000     -0.838045000000
  H                                                 1.379098000000     -1.625731000000      0.138442000000
  H                                                 3.041928000000      1.555618000000     -1.311973000000
  H                                                 4.296861000000      1.503639000000     -0.052940000000
  H                                                 2.640948000000      2.022263000000      0.338103000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524466   0.000000
     3  C    2.584301   1.580192   0.000000
     4  C    2.980289   2.636925   1.482020   0.000000
     5  C    3.709528   3.675297   2.510928   1.334789   0.000000
     6  C    4.742321   4.951596   3.890103   2.496951   1.476287
     7  O    5.622300   5.918795   4.844901   3.568960   2.334063
     8  C    2.508253   1.517992   2.624542   3.569081   4.810100
     9  C    2.546594   1.554889   2.158474   3.503161   4.255246
    10  C    3.044208   2.187340   1.542237   2.645541   3.095784
    11  C    5.129146   5.378042   4.477165   2.999314   2.583093
    12  H    3.447339   2.203691   2.713613   4.181295   5.045066
    13  H    2.687058   2.261676   3.094850   4.279479   4.862879
    14  H    3.456922   2.171568   1.095291   2.102484   3.207283
    15  H    3.059989   2.740107   2.198578   2.806348   2.824560
    16  H    4.122913   3.123701   2.255243   3.287497   3.606236
    17  H    1.092194   2.174652   2.954266   2.893612   3.651341
    18  H    1.090815   2.180577   2.755058   2.952006   3.287723
    19  H    1.092426   2.157665   3.518672   4.064627   4.780817
    20  H    3.465924   2.167187   2.825288   3.934119   5.205135
    21  H    2.770903   2.167424   2.970839   3.488615   4.768601
    22  H    2.758347   2.163546   3.559186   4.523180   5.697127
    23  H    3.267934   3.006443   2.178036   1.086813   2.089037
    24  H    3.994545   3.932232   2.776841   2.108184   1.083910
    25  H    5.439370   5.409861   4.387547   2.989953   2.880886
    26  H    6.083114   6.432618   5.540622   4.058982   3.474044
    27  H    4.520714   4.965827   4.370366   2.981862   2.874319
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216948   0.000000
     8  C    5.956653   7.042010   0.000000
     9  C    5.684624   6.467323   2.617524   0.000000
    10  C    4.568790   5.244680   3.489966   1.546012   0.000000
    11  C    1.515189   2.379594   6.062205   6.420725   5.515663
    12  H    6.493265   7.314178   2.698880   1.090789   2.200883
    13  H    6.241978   6.920399   3.295603   1.090130   2.263622
    14  H    4.488170   5.484477   2.637780   2.640574   2.172203
    15  H    4.207898   4.699950   4.210825   2.197486   1.089265
    16  H    5.044082   5.619796   4.228716   2.266796   1.088681
    17  H    4.414048   5.378492   2.759091   3.498267   3.799501
    18  H    4.301306   5.002591   3.468840   2.732098   2.843641
    19  H    5.785791   6.620825   2.762977   2.876202   3.766125
    20  H    6.411173   7.498186   1.091892   2.824180   3.611051
    21  H    5.706161   6.860991   1.093510   3.547913   4.159364
    22  H    6.833350   7.885432   1.093177   2.969180   4.164739
    23  H    2.723275   3.925404   3.525346   4.186223   3.585608
    24  H    2.155648   2.520260   5.249651   4.115991   2.776213
    25  H    2.160018   3.095618   5.910304   6.476564   5.569578
    26  H    2.130269   2.487508   7.124055   7.453764   6.506817
    27  H    2.160379   3.099733   5.546401   6.169145   5.502117
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.165283   0.000000
    13  H    7.051223   1.773206   0.000000
    14  H    4.910476   2.767768   3.708341   0.000000
    15  H    5.336300   3.067524   2.487165   3.064467   0.000000
    16  H    6.064781   2.497129   2.960651   2.463563   1.767496
    17  H    4.502948   4.322881   3.763959   3.738973   3.813315
    18  H    4.950799   3.787739   2.697983   3.797481   2.476405
    19  H    6.136823   3.661200   2.683754   4.297233   3.783326
    20  H    6.542651   2.505468   3.656794   2.422535   4.525170
    21  H    5.545871   3.734386   4.233202   2.953057   4.795300
    22  H    6.939770   2.984825   3.334284   3.666740   4.801157
    23  H    2.624937   4.774066   4.989586   2.489383   3.838129
    24  H    3.522605   4.929146   4.601856   3.534668   2.247377
    25  H    1.091993   7.083461   7.240040   4.575678   5.590011
    26  H    1.087041   8.224695   8.040040   5.978972   6.240754
    27  H    1.091961   6.948601   6.734970   4.884862   5.339550
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.852442   0.000000
    18  H    3.915182   1.761602   0.000000
    19  H    4.814159   1.766199   1.765741   0.000000
    20  H    4.095146   3.770830   4.318568   3.761106   0.000000
    21  H    4.927159   2.572095   3.771281   3.134894   1.768217
    22  H    4.932793   3.095458   3.771221   2.562677   1.766831
    23  H    4.232287   2.839726   3.491478   4.302349   3.922061
    24  H    3.144249   4.193923   3.357535   4.992378   5.597688
    25  H    6.009720   4.829341   5.417690   6.470948   6.236245
    26  H    7.025665   5.419303   5.834565   7.056828   7.621715
    27  H    6.209903   3.740578   4.458157   5.448358   6.160561
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.763698   0.000000
    23  H    3.116956   4.496049   0.000000
    24  H    5.409445   6.072780   3.062891   0.000000
    25  H    5.343281   6.867698   2.429905   3.871652   0.000000
    26  H    6.573103   7.976999   3.707867   4.282864   1.778405
    27  H    4.942123   6.326438   2.427059   3.865228   1.761049
                   26         27
    26  H    0.000000
    27  H    1.778745   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1821229           0.5349648           0.4880821
 Leave Link  202 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.8258063864 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0196409897 Hartrees.
 Nuclear repulsion after empirical dispersion term =      611.8061653967 Hartrees.
 Leave Link  301 at Thu Aug 12 22:12:19 2021, MaxMem=  5368709120 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.84D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 22:12:20 2021, MaxMem=  5368709120 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:12:20 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer15_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:12:20 2021, MaxMem=  5368709120 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.796131304442    
 DIIS: error= 2.24D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.796131304442     IErMin= 1 ErrMin= 2.24D-03
 ErrMax= 2.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-03 BMatP= 5.71D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.24D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 GapD=    0.344 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.23D-02 MaxDP=2.90D+00              OVMax= 1.39D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.91D-02    CP:  1.39D+00
 E= -465.801096487006     Delta-E=       -0.004965182564 Rises=F Damp=F
 DIIS: error= 2.72D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.801096487006     IErMin= 2 ErrMin= 2.72D-04
 ErrMax= 2.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-04 BMatP= 5.71D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.72D-03
 Coeff-Com: -0.465D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.464D-01 0.105D+01
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=2.95D-03 MaxDP=4.15D-01 DE=-4.97D-03 OVMax= 5.35D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.15D-04    CP:  1.44D+00  1.13D+00
 E= -465.801206579602     Delta-E=       -0.000110092596 Rises=F Damp=F
 DIIS: error= 3.06D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.801206579602     IErMin= 2 ErrMin= 2.72D-04
 ErrMax= 3.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-04 BMatP= 1.10D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.06D-03
 Coeff-Com: -0.406D-01 0.539D+00 0.501D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.405D-01 0.538D+00 0.503D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.63D-04 MaxDP=1.86D-02 DE=-1.10D-04 OVMax= 2.73D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.56D-05    CP:  1.44D+00  1.13D+00  1.06D+00
 E= -465.801283581448     Delta-E=       -0.000077001846 Rises=F Damp=F
 DIIS: error= 7.34D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.801283581448     IErMin= 4 ErrMin= 7.34D-05
 ErrMax= 7.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.16D-06 BMatP= 1.04D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.426D-02-0.752D-02 0.176D+00 0.836D+00
 Coeff:     -0.426D-02-0.752D-02 0.176D+00 0.836D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.02D-04 MaxDP=9.52D-03 DE=-7.70D-05 OVMax= 9.67D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.74D-05    CP:  1.44D+00  1.14D+00  1.14D+00  1.36D+00
 E= -465.801289885163     Delta-E=       -0.000006303716 Rises=F Damp=F
 DIIS: error= 2.55D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.801289885163     IErMin= 5 ErrMin= 2.55D-05
 ErrMax= 2.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.24D-07 BMatP= 6.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.241D-02-0.617D-01 0.192D-01 0.338D+00 0.702D+00
 Coeff:      0.241D-02-0.617D-01 0.192D-01 0.338D+00 0.702D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=2.51D-05 MaxDP=1.93D-03 DE=-6.30D-06 OVMax= 2.87D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.86D-05    CP:  1.44D+00  1.14D+00  1.16D+00  1.44D+00  1.12D+00
 E= -465.801290748700     Delta-E=       -0.000000863537 Rises=F Damp=F
 DIIS: error= 5.46D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.801290748700     IErMin= 6 ErrMin= 5.46D-06
 ErrMax= 5.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.69D-08 BMatP= 7.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-02-0.158D-01-0.703D-02 0.239D-01 0.187D+00 0.811D+00
 Coeff:      0.107D-02-0.158D-01-0.703D-02 0.239D-01 0.187D+00 0.811D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=8.63D-06 MaxDP=1.06D-03 DE=-8.64D-07 OVMax= 1.42D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.34D-06    CP:  1.44D+00  1.14D+00  1.16D+00  1.49D+00  1.16D+00
                    CP:  1.08D+00
 E= -465.801290813223     Delta-E=       -0.000000064523 Rises=F Damp=F
 DIIS: error= 2.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.801290813223     IErMin= 7 ErrMin= 2.30D-06
 ErrMax= 2.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.94D-09 BMatP= 3.69D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.786D-04 0.140D-02-0.351D-02-0.295D-01-0.193D-01 0.279D+00
 Coeff-Com:  0.772D+00
 Coeff:      0.786D-04 0.140D-02-0.351D-02-0.295D-01-0.193D-01 0.279D+00
 Coeff:      0.772D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=2.99D-06 MaxDP=2.89D-04 DE=-6.45D-08 OVMax= 4.38D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.60D-06    CP:  1.44D+00  1.14D+00  1.16D+00  1.49D+00  1.18D+00
                    CP:  1.12D+00  1.08D+00
 E= -465.801290824205     Delta-E=       -0.000000010982 Rises=F Damp=F
 DIIS: error= 9.15D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.801290824205     IErMin= 8 ErrMin= 9.15D-07
 ErrMax= 9.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.52D-10 BMatP= 6.94D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.105D-03 0.233D-02 0.117D-04-0.125D-01-0.319D-01-0.197D-01
 Coeff-Com:  0.226D+00 0.836D+00
 Coeff:     -0.105D-03 0.233D-02 0.117D-04-0.125D-01-0.319D-01-0.197D-01
 Coeff:      0.226D+00 0.836D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=9.18D-07 MaxDP=1.15D-04 DE=-1.10D-08 OVMax= 2.95D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.90D-07    CP:  1.44D+00  1.14D+00  1.16D+00  1.49D+00  1.18D+00
                    CP:  1.13D+00  1.14D+00  1.10D+00
 E= -465.801290825515     Delta-E=       -0.000000001309 Rises=F Damp=F
 DIIS: error= 2.84D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.801290825515     IErMin= 9 ErrMin= 2.84D-07
 ErrMax= 2.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-10 BMatP= 6.52D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.501D-04 0.839D-03 0.377D-03-0.246D-02-0.111D-01-0.344D-01
 Coeff-Com:  0.983D-02 0.355D+00 0.682D+00
 Coeff:     -0.501D-04 0.839D-03 0.377D-03-0.246D-02-0.111D-01-0.344D-01
 Coeff:      0.983D-02 0.355D+00 0.682D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=3.29D-07 MaxDP=2.35D-05 DE=-1.31D-09 OVMax= 5.02D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.51D-07    CP:  1.44D+00  1.14D+00  1.16D+00  1.49D+00  1.17D+00
                    CP:  1.13D+00  1.15D+00  1.16D+00  1.02D+00
 E= -465.801290825753     Delta-E=       -0.000000000238 Rises=F Damp=F
 DIIS: error= 8.85D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.801290825753     IErMin=10 ErrMin= 8.85D-08
 ErrMax= 8.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.98D-12 BMatP= 1.29D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.508D-05-0.195D-03 0.136D-03 0.155D-02 0.308D-02-0.461D-02
 Coeff-Com: -0.411D-01-0.309D-01 0.124D+00 0.948D+00
 Coeff:      0.508D-05-0.195D-03 0.136D-03 0.155D-02 0.308D-02-0.461D-02
 Coeff:     -0.411D-01-0.309D-01 0.124D+00 0.948D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=2.24D-07 MaxDP=2.35D-05 DE=-2.38D-10 OVMax= 3.73D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.18D-08    CP:  1.44D+00  1.14D+00  1.16D+00  1.49D+00  1.17D+00
                    CP:  1.12D+00  1.15D+00  1.17D+00  1.06D+00  1.32D+00
 E= -465.801290825787     Delta-E=       -0.000000000034 Rises=F Damp=F
 DIIS: error= 2.53D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.801290825787     IErMin=11 ErrMin= 2.53D-08
 ErrMax= 2.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-12 BMatP= 7.98D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.605D-05-0.132D-03 0.423D-05 0.582D-03 0.184D-02 0.212D-02
 Coeff-Com: -0.133D-01-0.339D-01-0.474D-01 0.250D+00 0.840D+00
 Coeff:      0.605D-05-0.132D-03 0.423D-05 0.582D-03 0.184D-02 0.212D-02
 Coeff:     -0.133D-01-0.339D-01-0.474D-01 0.250D+00 0.840D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=4.20D-08 MaxDP=4.41D-06 DE=-3.37D-11 OVMax= 9.05D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.05D-08    CP:  1.44D+00  1.14D+00  1.16D+00  1.49D+00  1.17D+00
                    CP:  1.12D+00  1.14D+00  1.17D+00  1.07D+00  1.42D+00
                    CP:  1.12D+00
 E= -465.801290825805     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 9.26D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.801290825805     IErMin=12 ErrMin= 9.26D-09
 ErrMax= 9.26D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-13 BMatP= 1.30D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.268D-06 0.380D-05-0.115D-04-0.102D-03-0.580D-04 0.957D-03
 Coeff-Com:  0.210D-02 0.718D-03-0.261D-01-0.657D-01 0.128D+00 0.960D+00
 Coeff:      0.268D-06 0.380D-05-0.115D-04-0.102D-03-0.580D-04 0.957D-03
 Coeff:      0.210D-02 0.718D-03-0.261D-01-0.657D-01 0.128D+00 0.960D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.32D-08 MaxDP=1.27D-06 DE=-1.86D-11 OVMax= 5.08D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.09D-09    CP:  1.44D+00  1.14D+00  1.16D+00  1.49D+00  1.17D+00
                    CP:  1.12D+00  1.14D+00  1.17D+00  1.06D+00  1.45D+00
                    CP:  1.19D+00  1.14D+00
 E= -465.801290825800     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 4.34D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -465.801290825805     IErMin=13 ErrMin= 4.34D-09
 ErrMax= 4.34D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-14 BMatP= 1.15D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.689D-06 0.176D-04-0.210D-05-0.103D-03-0.242D-03-0.128D-04
 Coeff-Com:  0.216D-02 0.474D-02-0.152D-02-0.491D-01-0.786D-01 0.260D+00
 Coeff-Com:  0.863D+00
 Coeff:     -0.689D-06 0.176D-04-0.210D-05-0.103D-03-0.242D-03-0.128D-04
 Coeff:      0.216D-02 0.474D-02-0.152D-02-0.491D-01-0.786D-01 0.260D+00
 Coeff:      0.863D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=4.87D-09 MaxDP=4.07D-07 DE= 5.46D-12 OVMax= 2.45D-07

 SCF Done:  E(RwB97XD) =  -465.801290826     A.U. after   13 cycles
            NFock= 13  Conv=0.49D-08     -V/T= 2.0063
 KE= 4.628785461055D+02 PE=-2.304883010373D+03 EE= 7.643970080453D+02
 Leave Link  502 at Thu Aug 12 22:18:11 2021, MaxMem=  5368709120 cpu:            2799.3 elap:             351.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.84743684D+02

 Leave Link  801 at Thu Aug 12 22:18:12 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 5.24D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.68D-01 6.39D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 2.77D-02 7.27D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 2.65D-03 1.37D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.31D-04 2.96D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.20D-05 6.04D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 4.85D-07 1.18D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 1.50D-08 2.50D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 4.17D-10 3.45D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 8.04D-12 5.36D-07.
      9 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 1.57D-13 4.96D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.167263D+03
      2 -0.619137D+01  0.120858D+03
      3  0.682530D+01 -0.316448D+01  0.102860D+03
 Isotropic polarizability for W=    0.085645      130.33 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.595384D+02 -0.178350D+02  0.362312D+02
      2  -0.134932D+02  0.190146D+02 -0.181828D+02
      3  -0.460452D+02 -0.117962D+01 -0.180483D+02
      4  -0.826293D-01 -0.346795D+02 -0.334489D+02
      5   0.316609D+02 -0.317473D+02 -0.870280D+02
      6  -0.101156D+02 -0.485983D+01  0.269304D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.235534D+01 -0.184021D+01 -0.110196D+02
      2   0.425292D+02 -0.145196D+02 -0.355649D+02
      3  -0.929082D+00  0.197772D+02  0.126169D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.170162D+01  0.133230D+02 -0.281100D+02
      2   0.457027D+01 -0.233333D+02 -0.409828D+02
      3   0.177524D+02  0.211863D+02  0.216317D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.525953D+00 -0.793558D+01  0.169245D+01
      2  -0.793558D+01  0.165279D+01  0.147237D+01
      3   0.169245D+01  0.147237D+01 -0.674214D+00
 OR G Eigenvalues:    -8.1222     0.0014     8.5734  Iso=    -0.1509
 Eigenvectors:
   (1)   0.721668   0.629305  -0.288394
   (2)   0.217150   0.189781   0.957512
   (3)  -0.657299   0.753630  -0.000305
 w=    0.085645 a.u., Optical Rotation Beta=     -0.1509 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -47.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.61D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.34D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.54D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.07D-02 5.33D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 2.23D-03 1.07D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 4.40D-05 9.54D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 8.72D-07 1.09D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.11D-08 1.50D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 1.24D-10 1.25D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D-12 9.29D-08.
     12 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 9.99D-15 9.22D-09.
      1 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 8.19D-16 2.86D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   253 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.04D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.04D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.80D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167263D+03 -0.619137D+01  0.682530D+01
      2  -0.619137D+01  0.120858D+03 -0.316448D+01
      3   0.682530D+01 -0.316448D+01  0.102860D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.235534D+01 -0.184021D+01 -0.110196D+02
      2   0.425292D+02 -0.145196D+02 -0.355649D+02
      3  -0.929082D+00  0.197772D+02  0.126169D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.595384D+02 -0.178350D+02  0.362312D+02
      2  -0.134932D+02  0.190146D+02 -0.181828D+02
      3  -0.460452D+02 -0.117962D+01 -0.180483D+02
      4  -0.826293D-01 -0.346795D+02 -0.334489D+02
      5   0.316609D+02 -0.317473D+02 -0.870280D+02
      6  -0.101156D+02 -0.485983D+01  0.269304D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.320715D+01 -0.186796D+01 -0.386176D+01 -0.117034D+01 -0.382011D+01
      2  -0.186796D+01 -0.374188D+01  0.219444D+01 -0.382011D+01 -0.183953D+01
      3  -0.386176D+01  0.219444D+01  0.352333D+01  0.217555D+01 -0.187331D+01
                 6             7             8             9            10 
      1   0.217555D+01 -0.321357D+01  0.262557D+01  0.324424D+01 -0.206613D+02
      2  -0.187331D+01  0.262557D+01 -0.120340D+01  0.912061D+00  0.408873D+01
      3   0.154645D+01  0.324424D+01  0.912061D+00  0.116128D+01  0.304726D+01
                11            12            13            14            15 
      1   0.408873D+01  0.304726D+01  0.113774D+02  0.197106D+01 -0.258623D+01
      2   0.278054D+01 -0.222670D+01  0.197106D+01  0.436916D+01  0.146922D+01
      3  -0.222670D+01 -0.343276D+01 -0.258623D+01  0.146922D+01 -0.961694D+00
                16            17            18            19            20 
      1   0.128604D+02 -0.374761D+01 -0.515774D+01  0.340145D+02 -0.476462D+01
      2  -0.374761D+01  0.258877D+01 -0.457211D+00 -0.476462D+01  0.277632D+01
      3  -0.515774D+01 -0.457211D+00 -0.299141D+01  0.739575D+00  0.888570D+00
                21            22            23            24            25 
      1   0.739575D+00 -0.980704D+01  0.312821D+01  0.186851D+01 -0.449921D+01
      2   0.888570D+00  0.312821D+01  0.189260D+01 -0.178590D+01  0.217659D+01
      3   0.272183D+01  0.186851D+01 -0.178590D+01 -0.211047D+01  0.621333D+01
                26            27            28            29            30 
      1   0.217659D+01  0.621333D+01 -0.512122D+02  0.569436D+01 -0.468119D+01
      2  -0.270961D+01 -0.176074D+01  0.569436D+01 -0.244930D+01 -0.147625D+00
      3  -0.176074D+01  0.515332D+01 -0.468119D+01 -0.147625D+00 -0.254672D+01
                31            32            33            34            35 
      1   0.151433D+02 -0.481768D+01  0.102387D+01 -0.135900D+02  0.230699D+00
      2  -0.481768D+01 -0.163075D+01  0.112576D+01  0.230699D+00  0.103380D+01
      3   0.102387D+01  0.112576D+01  0.173301D+01 -0.693331D+01  0.118656D+01
                36            37            38            39            40 
      1  -0.693331D+01  0.504571D+02 -0.757080D+01  0.675827D+01 -0.116251D+02
      2   0.118656D+01 -0.757080D+01  0.112923D+01 -0.431984D+00  0.393139D+01
      3  -0.493984D+01  0.675827D+01 -0.431984D+00  0.261227D+01 -0.572732D+00
                41            42            43            44            45 
      1   0.393139D+01 -0.572732D+00  0.145846D+02 -0.114896D+01  0.583719D+01
      2   0.259956D+01 -0.161057D+01 -0.114896D+01 -0.182490D+01 -0.139798D+01
      3  -0.161057D+01 -0.200664D+01  0.583719D+01 -0.139798D+01  0.276268D+01
                46            47            48            49            50 
      1  -0.359567D+02  0.753237D+01 -0.715602D+01  0.813391D+01 -0.415534D+01
      2   0.753237D+01 -0.167474D+01  0.198760D+01 -0.415534D+01 -0.239665D+01
      3  -0.715602D+01  0.198760D+01 -0.734933D+00  0.285934D+01  0.739828D-01
                51            52            53            54            55 
      1   0.285934D+01 -0.961618D+01  0.291869D+01 -0.192123D+01  0.302187D+02
      2   0.739828D-01  0.291869D+01  0.415839D+00  0.937770D+00 -0.676899D+01
      3   0.974276D+00 -0.192123D+01  0.937770D+00 -0.790137D+00  0.534219D+01
                56            57            58            59            60 
      1  -0.676899D+01  0.534219D+01 -0.209136D+02  0.718890D+01 -0.389695D+01
      2   0.295436D+01 -0.131509D+01  0.718890D+01 -0.525749D+01  0.181517D+01
      3  -0.131509D+01  0.194117D+01 -0.389695D+01  0.181517D+01 -0.181343D+01
                61            62            63            64            65 
      1   0.106398D+02 -0.196215D+01  0.589096D+01  0.561798D+01 -0.252147D+01
      2  -0.196215D+01  0.916891D+00 -0.266629D+01 -0.252147D+01 -0.339450D+01
      3   0.589096D+01 -0.266629D+01  0.358174D+01 -0.222149D+01  0.275392D+01
                66            67            68            69            70 
      1  -0.222149D+01 -0.201990D+01 -0.263902D+01  0.292854D+01 -0.413252D+01
      2   0.275392D+01 -0.263902D+01 -0.315854D+01 -0.541302D+00  0.299217D+01
      3   0.279133D+01  0.292854D+01 -0.541302D+00  0.174025D+01  0.380129D+01
                71            72            73            74            75 
      1   0.299217D+01  0.380129D+01  0.244284D+01  0.203692D+01  0.151970D+01
      2  -0.112228D+01  0.767749D+00  0.203692D+01 -0.262095D+01 -0.864425D+00
      3   0.767749D+00  0.442626D+01  0.151970D+01 -0.864425D+00  0.290597D+01
                76            77            78            79            80 
      1   0.305566D+01 -0.301734D+01 -0.183345D+01 -0.533608D+00 -0.132636D+01
      2  -0.301734D+01 -0.570221D+01 -0.382594D+00 -0.132636D+01 -0.939940D+00
      3  -0.183345D+01 -0.382594D+00  0.137687D+01  0.497860D+01  0.210797D+01
                81            82            83            84            85 
      1   0.497860D+01  0.309388D+01 -0.247630D+01 -0.213249D+01 -0.343541D+01
      2   0.210797D+01 -0.247630D+01 -0.167087D+01  0.180494D+01 -0.228992D+01
      3  -0.127949D+01 -0.213249D+01  0.180494D+01 -0.791826D+00  0.147209D+01
                86            87            88            89            90 
      1  -0.228992D+01  0.147209D+01 -0.197831D+01  0.199777D+01 -0.120107D+01
      2   0.953312D+00  0.284744D+01  0.199777D+01  0.402187D+01  0.255951D+01
      3   0.284744D+01  0.201566D+01 -0.120107D+01  0.255951D+01 -0.470231D+00
                91            92            93            94            95 
      1  -0.844367D+01 -0.196130D+01 -0.209053D+01  0.578390D+00  0.380801D+01
      2  -0.196130D+01  0.339180D+01 -0.280250D-01  0.380801D+01  0.154111D+01
      3  -0.209053D+01 -0.280250D-01  0.177273D+01 -0.301602D-01 -0.128616D+01
                96            97            98            99           100 
      1  -0.301602D-01 -0.320607D+01 -0.219635D+00  0.614541D+00 -0.648335D+01
      2  -0.128616D+01 -0.219635D+00 -0.127163D+01 -0.258123D+01 -0.161005D+01
      3  -0.184460D+01  0.614541D+00 -0.258123D+01  0.381107D+01 -0.268890D+01
               101           102           103           104           105 
      1  -0.161005D+01 -0.268890D+01 -0.387239D+00 -0.849479D+00 -0.118948D+00
      2  -0.126169D+01 -0.477961D+00 -0.849479D+00 -0.205392D+00 -0.525879D+00
      3  -0.477961D+00 -0.222398D+01 -0.118948D+00 -0.525879D+00 -0.350223D+00
               106           107           108           109           110 
      1  -0.485822D+01 -0.781466D+00 -0.309002D+01 -0.302841D+01 -0.156488D+01
      2  -0.781466D+00 -0.138729D+01 -0.103626D+01 -0.156488D+01 -0.780954D+00
      3  -0.309002D+01 -0.103626D+01 -0.272602D+01  0.182827D+01  0.829920D+00
               111           112           113           114           115 
      1   0.182827D+01 -0.915089D+00 -0.128087D+01  0.994611D+00  0.455021D+01
      2   0.829920D+00 -0.128087D+01 -0.128838D+01  0.128766D+01  0.192949D+01
      3  -0.199060D+01  0.994611D+00  0.128766D+01 -0.127122D+01 -0.403944D+01
               116           117           118           119           120 
      1   0.192949D+01 -0.403944D+01 -0.502381D+01  0.102051D+01 -0.182668D+01
      2   0.233701D+01 -0.207013D+01  0.102051D+01 -0.542452D+00  0.329780D-01
      3  -0.207013D+01  0.516720D+01 -0.182668D+01  0.329780D-01 -0.178520D+01
               121           122           123           124           125 
      1   0.443365D+01 -0.115572D+01  0.151849D+00 -0.344264D+01 -0.567884D-01
      2  -0.115572D+01  0.216546D+00 -0.970136D+00 -0.567884D-01 -0.116824D+01
      3   0.151849D+00 -0.970136D+00  0.112510D+01 -0.331284D+01  0.977250D+00
               126           127           128           129           130 
      1  -0.331284D+01  0.217019D+01 -0.204790D+00  0.906587D+00 -0.339333D+00
      2   0.977250D+00 -0.204790D+00  0.154669D+01 -0.807578D+00  0.869306D+00
      3  -0.842420D+01  0.906587D+00 -0.807578D+00  0.126611D+01 -0.522921D+00
               131           132           133           134           135 
      1   0.869306D+00 -0.522921D+00  0.177753D+01 -0.689293D+00  0.872354D+00
      2  -0.225712D+01  0.825082D+00 -0.689293D+00  0.191829D+01 -0.170346D+01
      3   0.825082D+00 -0.116253D+01  0.872354D+00 -0.170346D+01  0.285285D+01
               136           137           138           139           140 
      1  -0.760653D+00 -0.933092D+00 -0.425500D+00 -0.319059D+00 -0.370235D+00
      2  -0.933092D+00 -0.124892D+00 -0.219129D+00 -0.370235D+00 -0.706369D+01
      3  -0.425500D+00 -0.219129D+00  0.800331D-02 -0.228664D+00 -0.333346D+01
               141           142           143           144           145 
      1  -0.228664D+00 -0.101137D+01 -0.462082D+00  0.928598D-01  0.237029D+01
      2  -0.333346D+01 -0.462082D+00 -0.483305D+01 -0.345208D+01  0.185758D+01
      3  -0.237096D+01  0.928598D-01 -0.345208D+01 -0.319816D+01  0.566925D+00
               146           147           148           149           150 
      1   0.185758D+01  0.566925D+00  0.184106D+01  0.233029D+01  0.213728D+00
      2   0.280862D+01  0.544916D+00  0.233029D+01  0.541635D+01  0.140443D+01
      3   0.544916D+00  0.784312D+00  0.213728D+00  0.140443D+01  0.148055D+01
               151           152           153           154           155 
      1  -0.304036D+00 -0.165117D-01  0.261569D+00  0.192627D+01 -0.843062D+00
      2  -0.165117D-01  0.992461D-01  0.559729D+00 -0.843062D+00  0.152542D+01
      3   0.261569D+00  0.559729D+00  0.280649D+00  0.121374D+01 -0.703294D+00
               156           157           158           159           160 
      1   0.121374D+01 -0.136862D+01  0.134931D+01 -0.848854D+00  0.969698D+00
      2  -0.703294D+00  0.134931D+01 -0.231247D+01  0.126601D+01 -0.696016D+00
      3   0.151410D+01 -0.848854D+00  0.126601D+01 -0.257708D+01  0.795091D+00
               161           162           163           164           165 
      1  -0.696016D+00  0.795091D+00 -0.534907D+01  0.159761D+01  0.369290D+01
      2   0.117416D+01 -0.118755D+01  0.159761D+01 -0.122296D+01 -0.148470D+01
      3  -0.118755D+01  0.247713D+01  0.369290D+01 -0.148470D+01 -0.433614D+01
               166           167           168           169           170 
      1   0.729433D+00 -0.681890D+00 -0.832737D+00  0.239030D+01 -0.102955D+01
      2  -0.681890D+00  0.118803D+01  0.124984D+01 -0.102955D+01  0.105736D+01
      3  -0.832737D+00  0.124984D+01  0.845225D+00 -0.306968D+01  0.123690D+01
               171           172           173           174           175 
      1  -0.306968D+01 -0.234448D+01  0.299446D+00 -0.160289D+01 -0.872424D+00
      2   0.123690D+01  0.299446D+00 -0.117086D+00 -0.177219D+00  0.656198D-01
      3   0.439731D+01 -0.160289D+01 -0.177219D+00 -0.217430D+01 -0.798085D+00
               176           177           178           179           180 
      1   0.656198D-01 -0.798085D+00 -0.243986D+01  0.183011D+00 -0.321115D+01
      2  -0.394135D+00 -0.713320D+00  0.183011D+00 -0.141721D+01  0.168600D+00
      3  -0.713320D+00 -0.140929D+01 -0.321115D+01  0.168600D+00 -0.689436D+01
               181           182           183           184           185 
      1   0.128456D+01  0.131325D+01  0.338014D-01  0.163610D+01  0.959660D+00
      2   0.131325D+01  0.374779D+01 -0.849046D+00  0.959660D+00  0.767384D+01
      3   0.338014D-01 -0.849046D+00  0.651840D+00 -0.273578D+00 -0.114841D+01
               186           187           188           189           190 
      1  -0.273578D+00  0.319149D+00 -0.458519D+00 -0.113807D+00 -0.785550D+01
      2  -0.114841D+01 -0.458519D+00 -0.560007D+00  0.100044D+01  0.336030D+01
      3   0.107324D+01 -0.113807D+00  0.100044D+01 -0.819990D+00  0.196248D+01
               191           192           193           194           195 
      1   0.336030D+01  0.196248D+01  0.167534D+01 -0.170468D+01 -0.799161D+00
      2  -0.204386D+01 -0.867797D+00 -0.170468D+01  0.204700D+01  0.605558D+00
      3  -0.867797D+00 -0.188552D+01 -0.799161D+00  0.605558D+00  0.359337D+00
               196           197           198           199           200 
      1   0.467295D+01 -0.212993D+01 -0.221483D+01 -0.442482D+00  0.138142D+01
      2  -0.212993D+01  0.197414D+01  0.843614D+00  0.138142D+01  0.783465D+00
      3  -0.221483D+01  0.843614D+00  0.153249D+01 -0.630256D+00 -0.105853D+00
               201           202           203           204           205 
      1  -0.630256D+00  0.192300D+01  0.100910D+01  0.459312D-01 -0.190587D+01
      2  -0.105853D+00  0.100910D+01  0.576172D+01 -0.171270D+01  0.398985D+00
      3  -0.104645D+00  0.459312D-01 -0.171270D+01  0.123250D+01  0.826130D+00
               206           207           208           209           210 
      1   0.398985D+00  0.826130D+00  0.198831D+00 -0.106840D+01  0.427415D+00
      2  -0.139811D+01  0.863458D+00 -0.106840D+01 -0.108540D+00 -0.552370D-01
      3   0.863458D+00 -0.463936D+00  0.427415D+00 -0.552370D-01  0.145955D+00
               211           212           213           214           215 
      1  -0.223188D+01 -0.372804D+00 -0.803456D-01  0.707261D+00 -0.107193D+00
      2  -0.372804D+00 -0.667209D+01  0.113018D+01 -0.107193D+00  0.155677D+01
      3  -0.803456D-01  0.113018D+01 -0.104257D+01 -0.328267D+00 -0.763731D+00
               216           217           218           219           220 
      1  -0.328267D+00  0.111280D+01  0.265965D+00 -0.518959D+00  0.116487D+01
      2  -0.763731D+00  0.265965D+00 -0.934854D+00  0.161226D+00  0.814944D-01
      3   0.373706D+00 -0.518959D+00  0.161226D+00 -0.646051D+00  0.258667D-02
               221           222           223           224           225 
      1   0.814944D-01  0.258667D-02 -0.197556D+01 -0.955229D+00  0.589050D+00
      2   0.139984D+01 -0.104622D+01 -0.955229D+00 -0.243062D+01  0.238696D+01
      3  -0.104622D+01  0.140236D+01  0.589050D+00  0.238696D+01 -0.671727D+01
               226           227           228           229           230 
      1   0.100647D+02  0.296702D+01  0.749948D+00  0.134668D+01  0.105779D+01
      2   0.296702D+01  0.193376D+01  0.203599D+00  0.105779D+01  0.740219D+00
      3   0.749948D+00  0.203599D+00  0.122775D+01  0.141456D+00  0.302368D+00
               231           232           233           234           235 
      1   0.141456D+00  0.163631D+01  0.521081D+00  0.111629D+01 -0.618198D+00
      2   0.302368D+00  0.521081D+00  0.612921D+00  0.640397D+00  0.740246D+00
      3   0.315248D+00  0.111629D+01  0.640397D+00  0.197865D+00  0.104760D+01
               236           237           238           239           240 
      1   0.740246D+00  0.104760D+01  0.236627D+01 -0.595059D+00 -0.455250D+00
      2  -0.268848D+01 -0.640451D+00 -0.595059D+00  0.437916D+01  0.152725D+01
      3  -0.640451D+00 -0.121403D+01 -0.455250D+00  0.152725D+01  0.170065D+01
               241           242           243 
      1   0.159882D+01 -0.186762D+00 -0.540109D+00
      2  -0.186762D+00  0.255924D+01  0.192769D+01
      3  -0.540109D+00  0.192769D+01  0.153950D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.103152D+01 -0.109001D+02  0.176053D+01 -0.112287D+02 -0.284474D+01
      2   0.714338D+01  0.664011D+00  0.463709D+01 -0.533132D+00  0.118141D+02
      3  -0.209487D+01 -0.106327D+02 -0.770181D+00 -0.638610D+01 -0.753657D+01
                 6             7             8             9            10 
      1  -0.834418D+01  0.196632D+01 -0.214165D+01  0.289249D+01 -0.792745D+01
      2  -0.718455D+01 -0.164092D+01 -0.588938D+01 -0.779780D+01 -0.248456D+02
      3  -0.235094D+00  0.139018D+01  0.159979D+00  0.437551D+01  0.394112D+01
                11            12            13            14            15 
      1   0.572313D+01  0.229768D+01  0.605081D+01 -0.711849D+00 -0.356826D+01
      2   0.799849D+01  0.119038D+02  0.154453D+02 -0.690326D+01  0.255102D+01
      3   0.654070D+01 -0.204615D+01  0.135519D+02  0.143278D+02  0.187935D+01
                16            17            18            19            20 
      1   0.396261D+01  0.559625D+01  0.100852D+01  0.107099D+02 -0.412005D+01
      2   0.143374D+02  0.135044D+01  0.432111D+01  0.255383D+02 -0.579090D+01
      3  -0.328143D+01  0.871256D+00 -0.403375D+01 -0.370102D+01 -0.429005D+01
                21            22            23            24            25 
      1  -0.250568D+01 -0.537958D+01 -0.522837D+01 -0.482068D+00 -0.652603D+01
      2   0.871711D+00 -0.124274D+02  0.522498D+01  0.398020D+01 -0.183709D+02
      3  -0.792127D+00  0.818424D+01 -0.152766D+01 -0.721421D+00 -0.219879D+01
                26            27            28            29            30 
      1   0.474869D+01  0.287527D+01 -0.111878D+02  0.158662D+01  0.112389D+01
      2   0.378895D+01  0.260849D+01 -0.295522D+02  0.296224D+01 -0.785516D+01
      3  -0.933417D+00 -0.160842D+01  0.463339D+01  0.274647D+01  0.221701D+01
                31            32            33            34            35 
      1   0.281278D+01  0.288534D+01 -0.184059D+01  0.470212D+01  0.294169D+01
      2   0.874818D+01 -0.323797D+01  0.181322D+01 -0.418580D+02  0.340741D+01
      3   0.184252D+02 -0.153778D+01  0.110802D+01  0.724688D+01  0.146396D+01
                36            37            38            39            40 
      1  -0.120597D+01  0.853453D+01 -0.145177D+01 -0.221752D+01 -0.759350D+01
      2  -0.104440D+02  0.375668D+02 -0.404514D+01  0.126817D+02 -0.695357D+01
      3   0.622072D+00  0.345907D+01 -0.628018D+01 -0.156679D+01  0.927573D+01
                41            42            43            44            45 
      1   0.513946D+00 -0.220377D+01 -0.522779D+01  0.110034D+01 -0.596284D+00
      2  -0.992016D+00  0.204649D+00  0.128943D+02 -0.930216D+00  0.725489D+01
      3  -0.120151D+02  0.485094D+01 -0.445422D+01  0.321105D+01  0.382513D+00
                46            47            48            49            50 
      1  -0.732905D+01 -0.156666D+01  0.763621D+01 -0.141101D+01  0.665187D+01
      2  -0.214877D+02  0.436271D+01 -0.168522D+02  0.322353D+01 -0.113845D+01
      3  -0.102108D+02  0.900730D+01  0.205434D+01  0.195323D+02  0.650399D+01
                51            52            53            54            55 
      1   0.425025D+01  0.427047D+01  0.148283D+02 -0.328575D+01  0.403559D+01
      2   0.270985D+01 -0.268249D+02 -0.724771D+00 -0.808503D+01  0.170931D+02
      3   0.207104D+01  0.818559D+00  0.413659D+01 -0.187457D+01  0.549012D+01
                56            57            58            59            60 
      1   0.164262D+01 -0.118708D+01 -0.161391D+01 -0.246122D+01 -0.495899D+01
      2  -0.399655D+01  0.175517D+02 -0.114960D+02  0.592677D+01 -0.111716D+02
      3  -0.172484D+02  0.458538D+00 -0.829331D+01  0.172585D+02 -0.357357D+01
                61            62            63            64            65 
      1   0.164323D+01 -0.676444D+00  0.210003D+01  0.587354D+01 -0.396771D+01
      2   0.151942D+02 -0.572055D+01  0.137203D+02  0.991267D+01 -0.106941D+02
      3   0.629437D-01 -0.672515D+01  0.523659D+01  0.681816D+00 -0.193042D+02
                66            67            68            69            70 
      1  -0.763098D+01 -0.387106D+01  0.379838D+01 -0.394175D+01 -0.109288D+02
      2  -0.860584D+01 -0.959414D+01  0.286326D+00 -0.306258D+01 -0.165419D+02
      3   0.557868D+01 -0.845379D+01 -0.183572D+02  0.370948D+01  0.425391D+01
                71            72            73            74            75 
      1   0.203531D+01 -0.924339D+01  0.401280D+01 -0.357071D+01  0.365537D+01
      2   0.364419D+00 -0.117374D+02 -0.235502D+01  0.199251D+01 -0.905594D+01
      3   0.358467D+01  0.916359D+01  0.826117D+01 -0.171665D+02 -0.773504D+01
                76            77            78            79            80 
      1  -0.265646D+01 -0.307012D+01  0.213989D+00  0.704682D+01  0.571013D+01
      2   0.528069D+01  0.201619D+01 -0.521954D+01 -0.225744D+02 -0.815452D+01
      3  -0.980529D+01 -0.150009D+02  0.244318D+00 -0.813532D+01  0.990833D+00
                81            82            83            84            85 
      1  -0.153141D+01 -0.398425D+01  0.669659D+01 -0.256498D+01  0.893652D+01
      2   0.523032D+01  0.412531D+01 -0.324046D+01  0.242418D+01 -0.551453D+01
      3   0.168800D+01 -0.110383D+02  0.753712D+00  0.848665D+01  0.866478D+01
                86            87            88            89            90 
      1   0.953297D+01  0.131286D+01 -0.182755D+01  0.878322D+01 -0.138846D+01
      2  -0.401316D+01 -0.103655D+01 -0.135617D+01 -0.404069D+00  0.355107D+00
      3   0.529369D+01 -0.135693D+01  0.106913D+02 -0.923181D+00  0.655458D+01
                91            92            93            94            95 
      1   0.305068D+01 -0.270054D+01 -0.563525D+01  0.450416D-01  0.254414D+01
      2  -0.945487D+01 -0.209893D+00  0.841926D+01  0.635116D+00 -0.337566D+01
      3  -0.124958D+01 -0.196076D+02 -0.358089D+01 -0.101445D+02 -0.326875D+00
                96            97            98            99           100 
      1  -0.413461D+00  0.300719D+01  0.106083D+02 -0.698707D+01 -0.339579D+01
      2  -0.471561D+01 -0.197546D+01 -0.997791D+01  0.137180D+02  0.800967D+01
      3   0.511870D+01 -0.290010D+01  0.639405D+01  0.125220D+02  0.379195D+01
               101           102           103           104           105 
      1   0.485299D+00 -0.334504D+01 -0.145261D+00 -0.530141D+00 -0.137860D+01
      2   0.114237D+01  0.943981D+01  0.692481D+00  0.139649D+01  0.134150D+01
      3  -0.399589D+01  0.201524D+01  0.559782D-01  0.848021D+00 -0.145052D+01
               106           107           108           109           110 
      1  -0.369113D+01  0.531950D+00 -0.385882D+01  0.207811D+01  0.335659D-01
      2   0.726719D+01  0.277145D+01  0.933914D+01 -0.344716D+01 -0.242905D+01
      3   0.366666D+01 -0.503395D+01  0.676036D+00  0.269985D+00 -0.229481D+01
               111           112           113           114           115 
      1  -0.289968D+01  0.173085D+01  0.943090D+00 -0.252080D+01 -0.441939D+01
      2   0.761706D+01 -0.186588D+01 -0.420334D+01  0.443538D+01  0.971644D+01
      3   0.442276D+00 -0.102098D+00 -0.268846D+01  0.248591D+01  0.392995D+00
               116           117           118           119           120 
      1   0.996606D+00  0.724543D+01 -0.147267D+01  0.144908D+01 -0.330394D+00
      2   0.613594D+01 -0.170103D+02 -0.337884D+01  0.122547D+01  0.130785D+01
      3   0.686241D+01 -0.163579D+01  0.845345D+00 -0.187017D+01  0.632863D+00
               121           122           123           124           125 
      1   0.241284D+01 -0.123765D+00  0.475315D+00  0.172935D+01  0.406147D+01
      2   0.500102D+01 -0.709946D+00 -0.783251D+00 -0.346221D+01 -0.886395D+00
      3   0.129686D+01 -0.157817D+00 -0.597144D+00  0.925812D+00 -0.163222D+01
               126           127           128           129           130 
      1  -0.272446D+01  0.261297D+01 -0.197362D+01  0.398848D+01 -0.163428D+01
      2   0.467708D+01 -0.251578D+01  0.832058D+00 -0.394311D+00  0.101196D+01
      3   0.113509D+01 -0.858771D+01  0.143883D+01 -0.423752D+01  0.343825D+01
               131           132           133           134           135 
      1   0.182898D+01 -0.389534D+01  0.266652D+01 -0.233426D+01  0.849229D+01
      2  -0.111662D+01  0.952343D+00 -0.317361D+01  0.199395D+01 -0.269652D+01
      3  -0.537568D+01  0.282204D+01 -0.730453D+01  0.443921D+01 -0.598883D+01
               136           137           138           139           140 
      1  -0.262687D+00 -0.676331D+00  0.252879D+00  0.235682D+00 -0.343279D+01
      2  -0.193740D-01 -0.355701D-01  0.530428D+00 -0.821383D+00  0.321551D+01
      3  -0.102265D+01  0.630296D+00  0.301542D+00  0.444512D+01 -0.102379D+02
               141           142           143           144           145 
      1  -0.655500D+01  0.568621D+00 -0.378061D+01 -0.687794D+01  0.393884D+01
      2   0.245394D+01 -0.227867D+01  0.348267D+01  0.354748D+01 -0.756190D+01
      3  -0.452883D+01  0.259891D+01 -0.596793D+01 -0.563339D+01  0.833927D+01
               146           147           148           149           150 
      1   0.569526D+01 -0.133622D+01  0.493047D+01  0.899142D+01 -0.172631D+01
      2  -0.509885D+01 -0.124027D+01 -0.597758D+01 -0.809514D+01 -0.169817D+01
      3   0.550493D+01  0.125381D+01  0.890386D+01  0.104777D+02  0.269638D+01
               151           152           153           154           155 
      1  -0.928458D+00  0.100433D+01  0.121740D+01 -0.383120D+01  0.555940D+01
      2  -0.147667D+01 -0.789795D+00 -0.854201D+00 -0.858383D+01  0.374531D+01
      3  -0.111123D+01 -0.144729D+00  0.141122D+01 -0.520678D+00  0.438666D+00
               156           157           158           159           160 
      1  -0.210360D+01  0.459529D+01 -0.814275D+01  0.247822D+01 -0.215946D+01
      2  -0.351741D+01  0.598812D+01 -0.578818D+01  0.533857D+01 -0.482966D+01
      3   0.433294D-01  0.267903D+01 -0.119647D+01  0.102924D+01 -0.521714D+00
               161           162           163           164           165 
      1   0.475658D+01 -0.385179D+01 -0.922664D+00 -0.196085D+01  0.220748D+01
      2   0.359034D+01 -0.517942D+01  0.355019D+01  0.342902D+00  0.401259D+01
      3   0.270648D+00 -0.114520D+01 -0.208169D+01 -0.273100D+01  0.299147D+00
               166           167           168           169           170 
      1  -0.157075D+00  0.115248D+01  0.112336D+00  0.102196D+01  0.268857D+01
      2  -0.118327D+01 -0.154072D+01  0.308635D-03 -0.321169D+01  0.112412D-01
      3   0.586526D+00  0.198305D+01  0.131159D+01  0.174904D+01  0.175040D+01
               171           172           173           174           175 
      1  -0.266717D+01  0.259332D+01  0.116970D+01  0.424696D+01  0.771608D+00
      2  -0.310607D+01  0.279824D+01  0.622148D+00  0.674314D+01  0.100249D+01
      3  -0.747511D+00 -0.243991D+01 -0.936157D+00 -0.319509D+01  0.166717D+00
               176           177           178           179           180 
      1   0.234361D+01  0.185713D+01  0.509931D+01  0.421069D+01  0.118350D+02
      2   0.226269D+01  0.397567D+01  0.501150D+01  0.927095D-01  0.193201D+02
      3  -0.162561D+01 -0.310694D+01 -0.349477D+01 -0.549254D+01 -0.476132D+01
               181           182           183           184           185 
      1  -0.974519D+00 -0.523236D+00 -0.189285D+01 -0.386083D+00 -0.255697D+01
      2   0.131465D+01  0.308916D+01 -0.622454D+00  0.230646D+01  0.416815D+01
      3   0.924109D+01  0.131997D+02 -0.239702D+01  0.950848D+01  0.259199D+02
               186           187           188           189           190 
      1  -0.392525D+01  0.302966D+00 -0.271908D-01  0.127585D+01 -0.557387D+01
      2  -0.260771D+01 -0.564104D+00 -0.292103D+01  0.206271D+01 -0.957896D+01
      3  -0.425162D+01 -0.152630D+01 -0.301315D+01  0.284587D+01 -0.382000D+01
               191           192           193           194           195 
      1   0.226016D+01  0.498243D+01  0.252513D+01 -0.198281D+01 -0.210521D+01
      2   0.457036D+01  0.983105D+01  0.380494D+01 -0.300306D+01 -0.228293D+01
      3  -0.342687D+01  0.738225D+00  0.700258D-01  0.426816D+01  0.344189D+00
               196           197           198           199           200 
      1   0.463199D+01 -0.813710D+00 -0.362806D+01  0.309088D+00 -0.119715D+01
      2   0.778444D+01 -0.324309D+01 -0.716238D+01 -0.420300D+00  0.124926D+01
      3   0.840448D+00  0.377048D+01 -0.116855D+01  0.155299D+00 -0.987663D-01
               201           202           203           204           205 
      1  -0.563119D+00 -0.220212D+01 -0.533055D+01 -0.187224D+01 -0.567897D+01
      2  -0.368814D+00  0.236535D+01  0.939502D+00  0.716495D+00 -0.282195D+01
      3   0.864754D-01  0.331504D+01 -0.274755D+01  0.228104D+00 -0.145502D+01
               206           207           208           209           210 
      1   0.218539D+01 -0.864751D+00  0.103515D+01  0.158161D-01 -0.193586D+00
      2   0.148495D+00  0.563732D+00  0.215110D+01 -0.337777D+00  0.415211D+00
      3   0.654097D+00 -0.858120D+00  0.360394D+01  0.576354D+00 -0.267266D+00
               211           212           213           214           215 
      1  -0.314460D+00  0.769335D+00 -0.364809D+01 -0.199156D+01  0.363516D+00
      2  -0.308141D+00  0.324296D+01 -0.213269D+01 -0.401594D+01 -0.186735D+01
      3   0.602667D+01  0.138531D+02 -0.261097D+01 -0.212867D+01 -0.316481D+01
               216           217           218           219           220 
      1   0.473697D+00 -0.797775D-01 -0.380840D+00  0.160959D+01 -0.102269D+01
      2   0.495795D+00 -0.144709D+01  0.814591D+00 -0.211633D+01  0.156621D+01
      3   0.167363D+01 -0.874395D+00  0.291395D+01 -0.183029D+01  0.113232D+01
               221           222           223           224           225 
      1   0.114704D+01 -0.285494D+01 -0.161192D+01 -0.292061D+01  0.120715D+02
      2  -0.340870D+01  0.461321D+01  0.237066D-01  0.833351D+01 -0.230891D+02
      3  -0.516416D+01  0.345426D+01 -0.352896D+00  0.680466D+01 -0.880937D+01
               226           227           228           229           230 
      1  -0.214699D+01 -0.566287D+00 -0.238845D+01 -0.605478D+00 -0.599553D+00
      2   0.542042D+01  0.159235D+01  0.688666D+01  0.111404D+01  0.138150D+01
      3   0.392479D+01 -0.555355D+01  0.591181D+00  0.629331D+00 -0.952687D+00
               231           232           233           234           235 
      1  -0.139704D+01 -0.112086D+01 -0.385242D-01 -0.413344D+00 -0.727338D+00
      2   0.155420D+01  0.307277D+01  0.197323D+01  0.122232D+01  0.343835D+01
      3  -0.923164D+00  0.458536D+00 -0.202910D+01 -0.115814D+01 -0.590054D+01
               236           237           238           239           240 
      1   0.323863D+01  0.303293D+01  0.176102D+01 -0.450588D+01 -0.450141D+01
      2  -0.290876D+01 -0.321140D+01 -0.151087D+01  0.565102D+01  0.525461D+01
      3   0.112486D+02  0.480103D+01  0.693978D+01 -0.173829D+02 -0.658458D+01
               241           242           243 
      1   0.396223D+00 -0.398122D+01 -0.394477D+01
      2  -0.196776D+01  0.716168D+01  0.531288D+01
      3   0.376881D+01 -0.103041D+02 -0.886377D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.588708D+01  0.670534D+01  0.805055D+01  0.393063D+01  0.190475D+02
      2   0.538466D+01 -0.194686D+02 -0.118906D+02 -0.156262D+02 -0.108984D+02
      3  -0.112717D+02  0.127632D+02  0.384003D+01  0.116956D+02 -0.814914D+01
      4   0.805419D+01  0.652940D+01 -0.129567D+02  0.852020D+01 -0.293002D+01
      5   0.217426D+02 -0.130572D+02 -0.255306D+02 -0.131064D+02 -0.263503D+01
      6  -0.854590D+01 -0.706713D+01  0.120207D+02 -0.755803D+01 -0.631389D+01
                 6             7             8             9            10 
      1  -0.936796D+01  0.390572D+01 -0.118105D+02 -0.189145D+02 -0.323633D+01
      2  -0.391220D+00 -0.866244D+01  0.132102D+01  0.870092D+01 -0.588581D+00
      3   0.975918D+01  0.475672D+01  0.104894D+02  0.102135D+02  0.382491D+01
      4   0.760626D+01 -0.149555D+02  0.724512D+01  0.384912D+01 -0.141208D+02
      5   0.108026D+01 -0.246672D+02  0.567892D+01  0.715939D+01 -0.119415D+02
      6  -0.330515D+01  0.116636D+02 -0.300845D+01  0.654807D+01  0.833700D+01
                11            12            13            14            15 
      1  -0.916109D+01 -0.123301D+01 -0.704073D+00 -0.267463D+02  0.893753D+01
      2   0.126207D+02  0.126485D+01  0.258447D+01  0.122132D+02 -0.153774D+01
      3  -0.345966D+01 -0.318331D-01 -0.188040D+01  0.145331D+02 -0.739980D+01
      4  -0.141786D+02  0.122138D+02 -0.205288D+02 -0.175193D+02 -0.765648D+01
      5   0.117328D+02  0.150817D+02  0.139761D+02 -0.308070D+01  0.635962D+01
      6  -0.815977D+01 -0.214859D+01 -0.291509D+01  0.111597D+02 -0.138672D+01
                16            17            18            19            20 
      1  -0.176171D+01  0.144509D+02  0.159858D+02  0.351896D+02  0.795037D+01
      2  -0.560700D+01 -0.404216D+01 -0.108207D+02 -0.164247D+02 -0.997563D+01
      3   0.736872D+01 -0.104087D+02 -0.516510D+01 -0.187649D+02  0.202526D+01
      4   0.174976D+02 -0.147547D+02  0.187897D+01  0.102347D+02 -0.717190D+01
      5   0.224662D+02  0.184439D+01  0.993549D+01 -0.639232D+01 -0.208680D+01
      6  -0.307643D+01 -0.114236D+01 -0.852925D+01 -0.758765D+01 -0.687151D+00
                21            22            23            24            25 
      1   0.421738D+01  0.259601D+01  0.283409D+01 -0.307147D+01  0.189248D+02
      2   0.206825D+01 -0.414161D+01 -0.660554D+01  0.953564D+00  0.743539D+01
      3  -0.628563D+01  0.154560D+01  0.377146D+01  0.211790D+01 -0.263602D+02
      4  -0.431605D+01 -0.585621D+01 -0.246029D+01  0.441014D+01 -0.115820D+02
      5  -0.702208D+01 -0.542634D+01  0.111723D+01  0.438840D+01 -0.165704D+02
      6   0.399672D+00 -0.174410D+01 -0.399398D+01  0.268449D+01 -0.173369D+01
                26            27            28            29            30 
      1  -0.858171D+01  0.110694D+02 -0.113417D+03  0.105131D+02 -0.122573D+02
      2   0.490047D+01  0.131534D+02  0.470925D+02 -0.593445D+01  0.469227D+01
      3   0.368124D+01 -0.242228D+02  0.663245D+02 -0.457869D+01  0.756507D+01
      4   0.101519D+02  0.163582D+01  0.179625D+02 -0.101745D+02  0.966501D+00
      5   0.479868D+01 -0.152528D+02 -0.152551D+01 -0.116579D+01 -0.100529D+02
      6   0.391639D+01  0.131216D+01  0.782834D+01  0.265215D+01  0.192036D+01
                31            32            33            34            35 
      1   0.468302D+02 -0.744229D+01  0.208209D+01 -0.401087D+02 -0.133809D+01
      2  -0.222971D+02  0.291748D+01  0.667845D+00  0.118936D+02  0.318413D+01
      3  -0.245331D+02  0.452481D+01 -0.274993D+01  0.282151D+02 -0.184605D+01
      4  -0.154141D+02 -0.211298D+01  0.723516D+00  0.711631D+01 -0.391187D+01
      5   0.693362D+01  0.192020D+01  0.251270D+01 -0.715542D+01  0.351059D+00
      6   0.138908D+01  0.845053D+01 -0.989180D+00  0.378176D+00  0.366703D+01
                36            37            38            39            40 
      1  -0.299965D+02  0.160977D+03 -0.256949D+02  0.290975D+02 -0.227996D+02
      2   0.716407D-01 -0.697062D+02  0.114467D+02 -0.101409D+02  0.717127D+01
      3   0.299249D+02 -0.912709D+02  0.142482D+02 -0.189566D+02  0.156284D+02
      4   0.460074D+01 -0.477430D+02  0.146275D+02 -0.536435D+01  0.174927D+02
      5  -0.131021D+02  0.217596D+02 -0.160633D+01  0.194172D+02  0.285361D+01
      6   0.360584D+01 -0.914554D+01 -0.161184D+01 -0.269439D+01 -0.120313D+01
                41            42            43            44            45 
      1   0.129926D+02 -0.807704D+01  0.390092D+02 -0.934824D+01  0.784100D+01
      2  -0.111356D+02  0.264314D+01 -0.174976D+02  0.754053D+01 -0.739529D+01
      3  -0.185699D+01  0.543389D+01 -0.215116D+02  0.180771D+01 -0.445715D+00
      4   0.125252D+02 -0.496189D+01 -0.653820D+01 -0.640440D+01 -0.623271D+01
      5  -0.673958D+01 -0.287378D+01  0.282413D+02 -0.640989D+01  0.630341D+01
      6   0.427880D+01  0.431155D+01 -0.869460D+01  0.642994D+01  0.607318D+00
                46            47            48            49            50 
      1  -0.143066D+03  0.391986D+02 -0.250741D+02  0.521346D+02 -0.247708D+02
      2   0.640553D+02 -0.183100D+02  0.139044D+02 -0.325375D+02  0.425972D+01
      3   0.790105D+02 -0.208886D+02  0.111697D+02 -0.195971D+02  0.205111D+02
      4   0.682474D+02 -0.336860D+02  0.158279D+02 -0.397766D+02 -0.150444D+02
      5  -0.393067D+02  0.119577D+02 -0.228808D+02  0.226163D+02 -0.764481D+00
      6   0.154834D+02 -0.600067D+01  0.177013D+01  0.398306D+00  0.475984D+01
                51            52            53            54            55 
      1   0.140311D+02 -0.481876D+02  0.131831D+02 -0.150226D+02  0.158919D+03
      2  -0.111349D+02  0.231443D+02 -0.330286D+01  0.317047D+01 -0.769930D+02
      3  -0.289624D+01  0.250434D+02 -0.988020D+01  0.118522D+02 -0.819257D+02
      4  -0.640712D+00  0.286045D+02 -0.210485D+01  0.808267D+01 -0.671447D+02
      5   0.330163D+01 -0.831258D+01  0.598888D+01 -0.119204D+02  0.343763D+02
      6  -0.676254D+01  0.641958D+00  0.226807D+01  0.458900D+01 -0.809705D+01
                56            57            58            59            60 
      1  -0.406656D+02  0.252806D+02 -0.922924D+02  0.306931D+02 -0.134980D+02
      2   0.152062D+02 -0.154724D+02  0.375452D+02 -0.280777D+01  0.776473D+01
      3   0.254594D+02 -0.980813D+01  0.547472D+02 -0.278853D+02  0.573326D+01
      4   0.414511D+02 -0.120647D+02  0.696536D+02 -0.479492D+02  0.146485D+02
      5  -0.101144D+02  0.289537D+02 -0.228587D+02  0.121381D+02 -0.164105D+02
      6   0.407769D+01 -0.582724D+01  0.885873D+01 -0.630497D+01  0.114976D+02
                61            62            63            64            65 
      1   0.451799D+02 -0.646730D+01  0.252160D+02 -0.238070D+02  0.279982D+02
      2  -0.261032D+02  0.442031D+01 -0.188596D+02  0.737119D+01 -0.257002D+02
      3  -0.190767D+02  0.204699D+01 -0.635639D+01  0.164358D+02 -0.229795D+01
      4  -0.192639D+02  0.106054D+02 -0.213567D+02  0.221761D+02  0.800759D+01
      5   0.471725D+02 -0.200657D+02  0.302365D+02  0.148713D+02 -0.159683D+02
      6  -0.930260D+01  0.109398D+02 -0.827702D+01 -0.104823D+02  0.149052D+02
                66            67            68            69            70 
      1   0.104557D+02  0.207414D+02  0.288050D+02 -0.179734D+02  0.174465D+02
      2   0.563329D+01 -0.172633D+02 -0.252044D+02  0.109378D+02  0.481338D+01
      3  -0.160890D+02 -0.347810D+01 -0.360058D+01  0.703558D+01 -0.222599D+02
      4  -0.205331D+02  0.898687D+01  0.830804D+00  0.102496D+02 -0.257439D+02
      5  -0.175236D+02 -0.172324D+02  0.824372D+01 -0.108477D+02 -0.238763D+02
      6   0.614218D+01  0.122698D+02 -0.204391D+00  0.346515D+01  0.825612D+01
                71            72            73            74            75 
      1  -0.205226D+02 -0.225439D+02  0.596859D+00 -0.137762D+02 -0.208619D+02
      2   0.105926D+02  0.237412D+02 -0.806423D+00  0.108362D+02  0.127043D+02
      3   0.993002D+01 -0.119728D+01  0.209564D+00  0.294007D+01  0.815751D+01
      4   0.144163D+02  0.182707D+01 -0.119197D+02  0.600099D+01 -0.124312D+01
      5  -0.493939D+01 -0.285050D+02 -0.101710D+02  0.317140D+01 -0.216231D+02
      6   0.383799D+01  0.670709D+01 -0.381510D+01  0.700345D+01 -0.674197D+01
                76            77            78            79            80 
      1  -0.173746D+02  0.173986D+02  0.747855D+01 -0.218992D+02  0.249081D+01
      2   0.177018D+02 -0.204576D+01 -0.535650D+01  0.129900D+02 -0.202525D+01
      3  -0.327192D+00 -0.153528D+02 -0.212205D+01  0.890915D+01 -0.465553D+00
      4   0.139828D+02  0.356715D+02  0.436961D+01  0.506958D+01  0.947179D+01
      5   0.104472D+02 -0.171486D+01 -0.113394D+02 -0.360675D+02 -0.154764D+02
      6   0.325564D+01 -0.976912D+00 -0.438193D+01 -0.131001D+02 -0.558899D+01
                81            82            83            84            85 
      1  -0.232452D+02 -0.203130D+02 -0.616833D+00  0.148643D+02  0.274609D+01
      2   0.155687D+02  0.178279D+02  0.652646D+01 -0.145051D+02  0.196889D+01
      3   0.767652D+01  0.248513D+01 -0.590963D+01 -0.359187D+00 -0.471498D+01
      4  -0.202323D+02  0.445598D+00  0.104876D+02  0.262274D+01  0.103437D+02
      5   0.101872D+02  0.686384D+01 -0.273653D+01  0.135394D+01 -0.608170D+01
      6   0.821401D+01  0.974741D+01 -0.672284D+01  0.284184D+01 -0.388335D+01
                86            87            88            89            90 
      1   0.991245D+01  0.459374D+01  0.177466D+02  0.107658D+02  0.143080D+02
      2  -0.452527D+01 -0.865941D+01 -0.166338D+02 -0.172221D+02 -0.163183D+02
      3  -0.538717D+01  0.406568D+01 -0.111288D+01  0.645631D+01  0.201031D+01
      4  -0.263071D+01 -0.125787D+02  0.128745D+01 -0.179477D+02 -0.258675D+01
      5  -0.642262D+01 -0.273825D+01  0.376965D+01 -0.491646D+01 -0.250373D+00
      6  -0.171010D+02 -0.137832D+02  0.345635D+01 -0.190234D+02 -0.272840D+01
                91            92            93            94            95 
      1  -0.580823D+02 -0.291825D+02 -0.145562D+02 -0.115181D+02  0.192948D+02
      2   0.250380D+02  0.230014D+02  0.111915D+02  0.137816D+02 -0.335266D+01
      3   0.330443D+02  0.618111D+01  0.336468D+01 -0.226353D+01 -0.159422D+02
      4  -0.251792D+02  0.158894D+02 -0.493844D+01  0.222364D+02  0.187372D+02
      5  -0.127383D+02 -0.213878D+01  0.126558D+02 -0.211413D+01 -0.868352D+01
      6  -0.622985D+01  0.201603D+01  0.768775D+01 -0.442028D+00 -0.903090D+01
                96            97            98            99           100 
      1   0.337665D+01 -0.219191D+02  0.519243D+00  0.203422D+02  0.505981D+02
      2  -0.763353D+01  0.119319D+02 -0.102714D+02 -0.873951D+01 -0.261936D+02
      3   0.425688D+01  0.998724D+01  0.975213D+01 -0.116027D+02 -0.244045D+02
      4  -0.684585D+01 -0.682986D+01 -0.614913D+01 -0.128371D+02  0.227362D+02
      5  -0.924617D+01  0.501087D+01 -0.152368D+02  0.251835D+02  0.227035D+02
      6  -0.339730D+01  0.279357D+01 -0.109381D+02  0.131525D+02  0.532710D+01
               101           102           103           104           105 
      1   0.924686D+01  0.188733D+02  0.277752D+01  0.407678D+01 -0.702603D+00
      2  -0.278759D+01 -0.104818D+02  0.290942D+00 -0.103878D+01  0.166065D+01
      3  -0.645928D+01 -0.839148D+01 -0.306847D+01 -0.303800D+01 -0.958047D+00
      4   0.130654D+02  0.752204D+01  0.101117D+02  0.380882D+01  0.500852D+01
      5   0.355675D+01  0.187322D+02  0.126689D+01  0.510130D+01  0.279084D+01
      6   0.181674D+01  0.527142D+01  0.226336D+01  0.231005D+01  0.384574D+01
               106           107           108           109           110 
      1   0.312865D+02  0.314730D+01  0.166977D+02  0.219419D+02  0.811729D+01
      2  -0.178488D+02  0.590415D+00 -0.127128D+02 -0.125107D+02 -0.376298D+01
      3  -0.134377D+02 -0.373772D+01 -0.398486D+01 -0.943120D+01 -0.435432D+01
      4   0.140156D+02  0.107716D+02  0.115515D+02  0.171600D+02  0.105159D+02
      5   0.254672D+02  0.726149D+01  0.205308D+02 -0.164227D+02 -0.700589D+01
      6   0.723585D+01  0.468104D+01  0.611551D+01 -0.717800D+01 -0.433042D+01
               111           112           113           114           115 
      1  -0.778141D+01  0.678538D+01 -0.946087D+00 -0.116905D+01 -0.171587D+02
      2   0.537227D+01 -0.227179D+01  0.380427D+01 -0.803707D+00  0.125059D+02
      3   0.240913D+01 -0.451360D+01 -0.285818D+01  0.197276D+01  0.465279D+01
      4  -0.883959D+01  0.129862D+02  0.990702D+01 -0.106354D+02 -0.198512D+02
      5   0.179655D+02 -0.759408D+01 -0.920681D+01  0.893467D+01  0.315596D+02
      6   0.629910D+01 -0.609016D+01 -0.672103D+01  0.834857D+01  0.132912D+02
               116           117           118           119           120 
      1  -0.264582D+01  0.892800D+01 -0.133563D+01  0.309017D+00 -0.152152D+01
      2  -0.194883D+00 -0.138501D+02 -0.546752D+01  0.918702D+00 -0.418739D+01
      3   0.284070D+01  0.492208D+01  0.680314D+01 -0.122772D+01  0.570891D+01
      4  -0.186110D+02  0.189508D+02 -0.126902D+00  0.401189D+01  0.455076D+00
      5   0.148052D+02 -0.358318D+02  0.805414D+01 -0.906802D+00  0.119207D+02
      6   0.114539D+02 -0.170896D+02  0.298177D+00  0.134345D+01  0.341573D-01
               121           122           123           124           125 
      1   0.582016D+01 -0.461423D+01  0.278640D+01 -0.858855D+01  0.615136D+00
      2  -0.152311D+01 -0.203551D+00  0.119869D+01 -0.556704D+01  0.322939D+01
      3  -0.429705D+01  0.481778D+01 -0.398509D+01  0.141556D+02 -0.384453D+01
      4   0.375595D+01  0.537814D+00  0.288403D+01  0.120478D+01  0.380061D+01
      5  -0.142155D+01  0.301213D+01 -0.224322D+01  0.166853D+02 -0.278480D+01
      6   0.157297D+01 -0.163144D+01  0.678275D+01  0.145844D+01  0.469168D+01
               126           127           128           129           130 
      1  -0.233652D+02 -0.283060D+01  0.740912D+01 -0.545442D+01  0.455228D+01
      2  -0.185566D+02  0.274338D+01 -0.961937D+01  0.509205D+01 -0.535572D+01
      3   0.419218D+02  0.872136D-01  0.221025D+01  0.362371D+00  0.803442D+00
      4  -0.558066D+00 -0.519597D+01  0.251145D+00 -0.222018D+01  0.204496D+01
      5   0.229437D+02 -0.401299D+00  0.618468D+00 -0.749591D+00  0.446849D+00
      6   0.512096D+00 -0.544407D+01  0.396838D+01 -0.569732D+01  0.265541D+01
               131           132           133           134           135 
      1  -0.127688D+02  0.484682D+01 -0.896341D+01  0.948229D+01 -0.132416D+02
      2   0.151084D+02 -0.492814D+01  0.628267D+01 -0.107494D+02  0.900530D+01
      3  -0.233967D+01  0.813122D-01  0.268074D+01  0.126707D+01  0.423630D+01
      4   0.121442D+00  0.829279D+00 -0.493693D+01 -0.654150D+00 -0.803633D+00
      5  -0.780384D+00  0.160318D+01 -0.167220D+00  0.246644D+01 -0.403184D+01
      6  -0.466985D+01  0.864199D+01 -0.450673D+01  0.111558D+02 -0.126853D+02
               136           137           138           139           140 
      1  -0.586309D+00  0.340643D+01  0.374707D+00  0.209150D+01 -0.304576D+02
      2   0.215369D+01 -0.187568D+01  0.581828D+00  0.383615D+00  0.406461D+02
      3  -0.156738D+01 -0.153075D+01 -0.956535D+00 -0.247511D+01 -0.101885D+02
      4   0.508270D+01  0.752806D+01  0.323222D+01  0.796805D+01  0.202016D+02
      5   0.975543D+00  0.303132D+01  0.363336D+01  0.248940D+01  0.879087D+01
      6   0.328747D+01  0.108973D+01 -0.115269D+00  0.164876D+01  0.261967D+02
               141           142           143           144           145 
      1  -0.146334D+02 -0.110641D-02 -0.212648D+02 -0.177981D+02 -0.732724D+01
      2   0.161371D+02  0.217370D+01  0.227401D+02  0.126945D+02  0.670172D+01
      3  -0.150370D+01 -0.217259D+01 -0.147531D+01  0.510354D+01  0.625523D+00
      4   0.946009D+01  0.520889D+01  0.144619D+02  0.900213D+01  0.256077D+01
      5   0.590188D+01  0.334116D+01  0.941484D+01  0.818674D+01  0.376385D+01
      6   0.188993D+02  0.917304D+00  0.248662D+02  0.212772D+02  0.583749D+01
               146           147           148           149           150 
      1  -0.107939D+02 -0.642956D+01 -0.881926D+01 -0.214111D+02 -0.662684D+01
      2   0.119548D+02  0.174613D+01  0.103451D+02  0.246162D+02  0.179539D+01
      3  -0.116093D+01  0.468343D+01 -0.152580D+01 -0.320510D+01  0.483145D+01
      4   0.749018D-02  0.108956D+01  0.240472D+01 -0.606640D+01 -0.228622D+01
      5   0.435279D+01  0.243948D+01  0.632930D+01  0.266543D+01 -0.213946D+01
      6   0.979632D+01  0.374453D+01  0.695770D+01  0.174974D+02  0.914119D+01
               151           152           153           154           155 
      1  -0.185085D+01 -0.605735D+00 -0.220047D+01 -0.585783D+01  0.264994D+01
      2  -0.141290D+00 -0.178508D+01  0.756667D+00 -0.178173D+01  0.314939D+01
      3   0.199214D+01  0.239082D+01  0.144381D+01  0.763955D+01 -0.579932D+01
      4   0.124339D+01  0.336057D+00 -0.455059D+00  0.262199D+01 -0.295737D+01
      5   0.283141D+01 -0.254631D+00  0.113988D-01  0.194565D+01 -0.671663D+00
      6   0.168667D+01  0.506186D+01  0.178302D+01 -0.234660D+01  0.560718D+01
               156           157           158           159           160 
      1  -0.912895D+01  0.442303D+01 -0.910982D+01  0.101258D+02 -0.525410D+01
      2  -0.219672D+01  0.137387D+01  0.160382D+01  0.446082D+01 -0.140326D+01
      3   0.113257D+02 -0.579690D+01  0.750600D+01 -0.145867D+02  0.665736D+01
      4   0.320518D+01 -0.320853D+01  0.710108D+01 -0.439731D+01  0.316543D+01
      5   0.315040D+01 -0.201846D+01  0.329812D+00  0.371828D+01  0.526214D+01
      6  -0.289244D+01  0.409864D+01 -0.872562D+01  0.578758D+01 -0.327424D+01
               161           162           163           164           165 
      1   0.602062D+01 -0.971595D+01  0.164416D+02 -0.166577D+01 -0.330331D+01
      2   0.252025D+01 -0.659978D+01 -0.176232D+02  0.311693D+01  0.154152D+02
      3  -0.854087D+01  0.163157D+02  0.118164D+01 -0.145115D+01 -0.121119D+02
      4  -0.326922D+01  0.343402D+01 -0.133718D+02  0.100974D+02  0.100998D+02
      5  -0.375191D+00 -0.200330D+01 -0.330893D+02  0.106649D+02  0.313514D+02
      6   0.640260D+01 -0.454484D+01  0.862244D+01 -0.759826D+01 -0.100327D+02
               166           167           168           169           170 
      1  -0.114016D+01 -0.173491D+01 -0.130247D+01 -0.384684D+01 -0.105391D+01
      2   0.194285D+01  0.469559D+00 -0.723004D+00  0.124358D+02 -0.184409D+01
      3  -0.802690D+00  0.126536D+01  0.202548D+01 -0.858899D+01  0.289801D+01
      4   0.743715D+01 -0.589729D+01 -0.699237D+01  0.826199D+01 -0.631703D+01
      5   0.643018D+01 -0.714309D+01 -0.617409D+01  0.244725D+02 -0.844616D+01
      6  -0.485359D+01  0.609385D+01  0.788384D+01 -0.760715D+01  0.763947D+01
               171           172           173           174           175 
      1  -0.272267D+01  0.155646D+02 -0.230042D+01  0.911329D+01  0.465483D+01
      2  -0.163108D+02 -0.113247D+02  0.102463D+01 -0.104211D+02 -0.345765D+01
      3   0.190335D+02 -0.423995D+01  0.127579D+01  0.130777D+01 -0.119718D+01
      4  -0.847575D+01 -0.602843D+01  0.362560D+01 -0.129566D+01  0.107981D+01
      5  -0.285904D+02  0.139954D+02  0.101550D+01  0.191563D+02  0.624527D+01
      6   0.106259D+02 -0.296670D+01  0.185476D+00 -0.580653D+01 -0.363216D+00
               176           177           178           179           180 
      1  -0.182760D+01  0.450803D+01  0.135500D+02  0.272267D+01  0.849815D+01
      2   0.178504D+00 -0.698653D+01 -0.143587D+02 -0.507283D+01 -0.240446D+02
      3   0.164910D+01  0.247850D+01  0.808713D+00  0.235016D+01  0.155464D+02
      4   0.350815D+01  0.405992D+01 -0.501673D+01  0.868787D+01 -0.496058D+01
      5   0.440147D+01  0.884236D+01  0.264551D+02 -0.100962D+01  0.458471D+02
      6   0.336998D+00  0.171765D+01 -0.806902D+01  0.540899D+01 -0.163909D+02
               181           182           183           184           185 
      1  -0.833904D+01 -0.203943D+02  0.243831D+01 -0.149655D+02 -0.337238D+02
      2   0.865360D+01  0.227728D+02 -0.263937D+01  0.113917D+02  0.459377D+02
      3  -0.314563D+00 -0.237853D+01  0.201065D+00  0.357376D+01 -0.122139D+02
      4   0.797441D+00 -0.736848D+01  0.338097D+01  0.509193D+01 -0.267288D+02
      5  -0.288244D+01  0.176281D+01 -0.961205D+00 -0.100137D+01  0.234228D+01
      6  -0.111396D+01 -0.644622D+01  0.460304D+01 -0.266576D+01 -0.119793D+02
               186           187           188           189           190 
      1   0.656395D+01 -0.649261D-01  0.615973D+01 -0.333296D+01  0.601658D+02
      2  -0.581995D+01 -0.142817D+01 -0.432372D+01  0.239228D+01 -0.235697D+02
      3  -0.743995D+00  0.149310D+01 -0.183601D+01  0.940676D+00 -0.365962D+02
      4   0.345393D+01  0.210698D+01  0.109722D+01 -0.315651D+01 -0.402048D+02
      5  -0.422858D+01  0.309809D+01 -0.330377D+01  0.418137D+01 -0.139849D+02
      6   0.858560D+01  0.877331D+00  0.779607D+01 -0.402109D+01  0.698606D+01
               191           192           193           194           195 
      1  -0.192234D+02 -0.143032D+02 -0.120642D+02  0.484752D+01  0.400776D+01
      2   0.351050D+01  0.449075D+01  0.600249D+00  0.506042D+01 -0.820044D-01
      3   0.157129D+02  0.981245D+01  0.114639D+02 -0.990794D+01 -0.392576D+01
      4   0.237971D+02  0.101785D+02  0.193579D+02 -0.162967D+02 -0.660926D+01
      5   0.562998D+01  0.151939D+02  0.443165D+01 -0.473080D+01 -0.249286D+01
      6  -0.379589D+01 -0.727073D+01 -0.363533D+01  0.184238D+01  0.350201D+01
               196           197           198           199           200 
      1  -0.275361D+02  0.888669D+01  0.121285D+02  0.242156D+00  0.154039D+01
      2   0.953859D+01  0.556603D-01 -0.740177D+01 -0.680890D+00 -0.424849D-01
      3   0.179975D+02 -0.894235D+01 -0.472670D+01  0.438734D+00 -0.149791D+01
      4   0.219375D+02 -0.168406D+02 -0.961637D+01  0.336631D+01  0.508453D+01
      5   0.175912D+02 -0.652805D+01 -0.120795D+02 -0.105515D+01 -0.182380D+01
      6  -0.830341D+01  0.463222D+01  0.660613D+01 -0.227854D+01 -0.581466D+00
               201           202           203           204           205 
      1  -0.131099D+01  0.240277D+01 -0.127750D+02  0.590709D+01 -0.140828D+01
      2   0.505973D+00 -0.636988D+00  0.128385D+02 -0.243446D+01  0.291149D+01
      3   0.805015D+00 -0.176578D+01 -0.634566D-01 -0.347264D+01 -0.150321D+01
      4  -0.945555D+00  0.520683D+01  0.894092D+01 -0.294598D+01 -0.109256D+01
      5   0.125365D+01 -0.230594D+01 -0.376124D+01  0.249040D+01  0.199510D+01
      6   0.401379D+00 -0.660222D+00 -0.108397D+02  0.645052D+01  0.213404D+01
               206           207           208           209           210 
      1   0.479334D+01 -0.105088D+01 -0.835705D+00 -0.163646D+01  0.348285D+00
      2  -0.257314D+01  0.652461D+00  0.253771D+01  0.114548D+01 -0.144536D+00
      3  -0.222020D+01  0.398417D+00 -0.170201D+01  0.490979D+00 -0.203748D+00
      4  -0.124130D+01  0.467320D+00 -0.138377D+01  0.510882D+01 -0.113768D+01
      5   0.167334D+01 -0.216224D+00  0.978259D+00 -0.585183D+00  0.776987D+00
      6   0.444535D+01 -0.345587D+01 -0.799748D+00  0.114808D+01 -0.871191D-01
               211           212           213           214           215 
      1  -0.525552D+01 -0.206061D+02  0.323961D+01  0.254443D+01  0.494165D+01
      2   0.258889D+01  0.265211D+02 -0.310831D+01 -0.312929D+00 -0.538843D+01
      3   0.266663D+01 -0.591499D+01 -0.131295D+00 -0.223150D+01  0.446782D+00
      4   0.330776D+01 -0.199028D+02  0.310727D+01 -0.156593D+01  0.531464D+01
      5  -0.586884D+00  0.239382D+01 -0.241512D+01 -0.102837D+01 -0.212307D+01
      6   0.457772D+00 -0.189900D+01  0.485210D+01  0.171256D+01  0.345165D+01
               216           217           218           219           220 
      1  -0.384877D+01  0.460094D+01  0.614500D+01 -0.596466D+01  0.497452D+01
      2   0.299225D+01 -0.355489D+01 -0.473996D+01  0.192393D+01 -0.259573D+01
      3   0.856512D+00 -0.104605D+01 -0.140504D+01  0.404073D+01 -0.237880D+01
      4  -0.260238D+01  0.205273D+01 -0.320106D+01 -0.106146D+01  0.267432D+01
      5   0.160126D+01 -0.290504D+01  0.363464D+00 -0.833573D+00 -0.338541D+00
      6  -0.215271D+01 -0.221889D+01  0.115301D+01 -0.279422D+01 -0.859565D+00
               221           222           223           224           225 
      1  -0.781668D+01  0.455291D+01 -0.917215D+01  0.500628D+01 -0.168372D+02
      2   0.636680D+01 -0.352250D+01  0.474550D+01 -0.302064D+01 -0.359740D+01
      3   0.144988D+01 -0.103042D+01  0.442665D+01 -0.198564D+01  0.204346D+02
      4   0.796831D+01 -0.601394D+01 -0.994769D+01 -0.160031D+02  0.138590D+02
      5  -0.645886D+01  0.889186D+01  0.886931D+01  0.159389D+02 -0.433452D+02
      6  -0.537878D+01  0.957961D+01  0.311303D+01  0.135664D+02 -0.233921D+02
               226           227           228           229           230 
      1   0.864578D+02  0.206095D+02  0.611352D+01  0.816514D+01  0.756938D+01
      2  -0.392458D+02 -0.545251D+01 -0.269411D+01  0.802428D-02 -0.242539D+00
      3  -0.472120D+02 -0.151570D+02 -0.341942D+01 -0.817317D+01 -0.732684D+01
      4   0.434013D+02  0.234695D+02  0.343689D+01  0.148965D+02  0.932964D+01
      5   0.332313D+01  0.119484D+01  0.126990D+02  0.768586D+00  0.193404D+01
      6   0.298327D+01  0.625501D+00  0.444677D+01  0.253741D-01  0.108463D+01
               231           232           233           234           235 
      1   0.310704D+00  0.128647D+02  0.283681D+01  0.720232D+01 -0.553145D+01
      2   0.957341D+00 -0.629121D+01  0.193771D+00 -0.437552D+01  0.540339D+01
      3  -0.126804D+01 -0.657346D+01 -0.303058D+01 -0.282679D+01  0.128062D+00
      4   0.231601D+01  0.725688D+01  0.524990D+01  0.636236D+01 -0.672018D+00
      5   0.238892D+01  0.117553D+02  0.500475D+01  0.257009D+01  0.428841D+01
      6   0.231108D+01  0.384375D+01  0.320377D+01  0.735448D+00  0.351183D+01
               236           237           238           239           240 
      1   0.150570D+02  0.905341D+01  0.154349D+02 -0.212929D+02 -0.881698D+01
      2  -0.154338D+02 -0.636314D+01 -0.102269D+02  0.266630D+02  0.972551D+01
      3   0.376798D+00 -0.269028D+01 -0.520795D+01 -0.537005D+01 -0.908536D+00
      4  -0.996025D+01 -0.479035D+00  0.250699D+01  0.201581D+02  0.626276D+01
      5  -0.234982D+01 -0.569792D+01 -0.314834D+01  0.773155D+01  0.994419D+01
      6  -0.438666D+01 -0.547450D+01 -0.215264D+01  0.859537D+01  0.857763D+01
               241           242           243 
      1   0.107128D+02 -0.102740D+02 -0.129538D+02
      2  -0.549706D+01  0.126369D+02  0.810974D+01
      3  -0.521571D+01 -0.236292D+01  0.484406D+01
      4   0.334743D+01  0.125988D+02  0.837244D+01
      5  -0.936124D+00  0.104517D+02  0.707630D+01
      6  -0.198325D+01  0.110435D+02  0.771144D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:24:54 2021, MaxMem=  5368709120 cpu:           31937.7 elap:            4002.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25350 -10.38515 -10.32261 -10.31627 -10.31024
 Alpha  occ. eigenvalues --  -10.30240 -10.29782 -10.29761 -10.29505 -10.29096
 Alpha  occ. eigenvalues --  -10.28958  -1.14258  -0.97769  -0.90657  -0.85409
 Alpha  occ. eigenvalues --   -0.83675  -0.79482  -0.78280  -0.71887  -0.69408
 Alpha  occ. eigenvalues --   -0.63122  -0.61472  -0.57913  -0.56788  -0.56356
 Alpha  occ. eigenvalues --   -0.53785  -0.53015  -0.51967  -0.50962  -0.49746
 Alpha  occ. eigenvalues --   -0.48191  -0.47959  -0.46565  -0.45840  -0.44862
 Alpha  occ. eigenvalues --   -0.44278  -0.41990  -0.40693  -0.39904  -0.38189
 Alpha  occ. eigenvalues --   -0.34424  -0.33206
 Alpha virt. eigenvalues --    0.01249   0.03075   0.03966   0.04219   0.04467
 Alpha virt. eigenvalues --    0.05643   0.06086   0.06097   0.06330   0.06552
 Alpha virt. eigenvalues --    0.07743   0.08367   0.08797   0.09241   0.09399
 Alpha virt. eigenvalues --    0.09530   0.10430   0.11279   0.12381   0.12700
 Alpha virt. eigenvalues --    0.12776   0.13316   0.13482   0.13766   0.14146
 Alpha virt. eigenvalues --    0.14765   0.15106   0.15372   0.15681   0.15749
 Alpha virt. eigenvalues --    0.16053   0.16555   0.16718   0.16873   0.17597
 Alpha virt. eigenvalues --    0.18302   0.18645   0.18935   0.19286   0.19458
 Alpha virt. eigenvalues --    0.19717   0.20198   0.20549   0.20898   0.21474
 Alpha virt. eigenvalues --    0.21782   0.22256   0.22466   0.22774   0.23057
 Alpha virt. eigenvalues --    0.23553   0.24160   0.24979   0.25414   0.25520
 Alpha virt. eigenvalues --    0.26522   0.27115   0.27517   0.27852   0.28588
 Alpha virt. eigenvalues --    0.29291   0.29762   0.29968   0.30397   0.31386
 Alpha virt. eigenvalues --    0.31763   0.32235   0.32479   0.33453   0.33804
 Alpha virt. eigenvalues --    0.34394   0.34865   0.35496   0.36181   0.36571
 Alpha virt. eigenvalues --    0.37098   0.37401   0.37828   0.38093   0.38800
 Alpha virt. eigenvalues --    0.39377   0.40050   0.40139   0.40751   0.41157
 Alpha virt. eigenvalues --    0.41323   0.42640   0.42944   0.43216   0.44033
 Alpha virt. eigenvalues --    0.44468   0.44646   0.45108   0.45562   0.45655
 Alpha virt. eigenvalues --    0.46790   0.47128   0.47553   0.47915   0.48435
 Alpha virt. eigenvalues --    0.48696   0.49186   0.49954   0.50447   0.51099
 Alpha virt. eigenvalues --    0.51401   0.52201   0.53102   0.53998   0.54631
 Alpha virt. eigenvalues --    0.54960   0.55378   0.56077   0.56568   0.57444
 Alpha virt. eigenvalues --    0.58254   0.58524   0.59225   0.59533   0.59996
 Alpha virt. eigenvalues --    0.60353   0.60597   0.61463   0.61903   0.62253
 Alpha virt. eigenvalues --    0.63061   0.63362   0.63660   0.64197   0.64838
 Alpha virt. eigenvalues --    0.65299   0.65564   0.66332   0.66879   0.67151
 Alpha virt. eigenvalues --    0.67891   0.68199   0.69331   0.69771   0.70479
 Alpha virt. eigenvalues --    0.71095   0.71505   0.71986   0.72407   0.73076
 Alpha virt. eigenvalues --    0.73354   0.73792   0.74267   0.75258   0.75914
 Alpha virt. eigenvalues --    0.76635   0.77459   0.77695   0.77860   0.78487
 Alpha virt. eigenvalues --    0.79118   0.79854   0.80271   0.80833   0.81615
 Alpha virt. eigenvalues --    0.81692   0.82615   0.82837   0.83293   0.83696
 Alpha virt. eigenvalues --    0.85028   0.85624   0.86177   0.87100   0.87478
 Alpha virt. eigenvalues --    0.87725   0.88873   0.89539   0.90562   0.91630
 Alpha virt. eigenvalues --    0.92631   0.93066   0.94776   0.95108   0.95696
 Alpha virt. eigenvalues --    0.96370   0.97196   0.97932   0.98913   0.99942
 Alpha virt. eigenvalues --    1.01593   1.02271   1.03027   1.04323   1.05797
 Alpha virt. eigenvalues --    1.06844   1.07782   1.08262   1.09796   1.10608
 Alpha virt. eigenvalues --    1.11952   1.12937   1.13845   1.14773   1.15658
 Alpha virt. eigenvalues --    1.17106   1.18779   1.19768   1.20829   1.21748
 Alpha virt. eigenvalues --    1.22848   1.24547   1.25871   1.28131   1.28498
 Alpha virt. eigenvalues --    1.29243   1.31433   1.31998   1.32788   1.34687
 Alpha virt. eigenvalues --    1.36289   1.36903   1.37639   1.40077   1.43368
 Alpha virt. eigenvalues --    1.45011   1.46272   1.47357   1.49608   1.50415
 Alpha virt. eigenvalues --    1.51696   1.53956   1.54272   1.54946   1.56085
 Alpha virt. eigenvalues --    1.57022   1.58431   1.59280   1.59802   1.60558
 Alpha virt. eigenvalues --    1.62178   1.63565   1.63998   1.65574   1.66905
 Alpha virt. eigenvalues --    1.67908   1.69371   1.69954   1.71140   1.72030
 Alpha virt. eigenvalues --    1.72705   1.74721   1.75228   1.76113   1.77164
 Alpha virt. eigenvalues --    1.77172   1.78281   1.79549   1.81504   1.82414
 Alpha virt. eigenvalues --    1.83949   1.84424   1.85317   1.85817   1.86512
 Alpha virt. eigenvalues --    1.87245   1.88679   1.89149   1.90889   1.92275
 Alpha virt. eigenvalues --    1.92753   1.96053   1.96282   1.97206   1.99155
 Alpha virt. eigenvalues --    2.00136   2.03090   2.03300   2.03978   2.05040
 Alpha virt. eigenvalues --    2.06721   2.07959   2.08180   2.09615   2.10508
 Alpha virt. eigenvalues --    2.11691   2.11956   2.14188   2.14350   2.15626
 Alpha virt. eigenvalues --    2.16678   2.17190   2.19157   2.19715   2.21263
 Alpha virt. eigenvalues --    2.21713   2.23048   2.25596   2.26109   2.27041
 Alpha virt. eigenvalues --    2.27529   2.29104   2.30013   2.31152   2.32086
 Alpha virt. eigenvalues --    2.32635   2.36114   2.36945   2.38826   2.39252
 Alpha virt. eigenvalues --    2.40901   2.43099   2.43543   2.46898   2.47035
 Alpha virt. eigenvalues --    2.49202   2.50356   2.50815   2.52722   2.53575
 Alpha virt. eigenvalues --    2.55585   2.57584   2.58298   2.60182   2.60632
 Alpha virt. eigenvalues --    2.63098   2.66132   2.66500   2.68607   2.69056
 Alpha virt. eigenvalues --    2.69718   2.72194   2.73647   2.75047   2.75767
 Alpha virt. eigenvalues --    2.77475   2.81528   2.83017   2.85076   2.86809
 Alpha virt. eigenvalues --    2.89394   2.94148   2.95537   2.97026   3.02494
 Alpha virt. eigenvalues --    3.06661   3.10615   3.13905   3.25554   3.29260
 Alpha virt. eigenvalues --    3.38328   3.46096   3.51458   3.52753   3.55768
 Alpha virt. eigenvalues --    3.72990   3.78118   3.91971   4.01710   5.13385
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.544252  -0.258972  -0.148642  -0.455028   0.163351  -0.009958
     2  C   -0.258972   9.352686  -3.356427   1.786608  -0.518195   0.069235
     3  C   -0.148642  -3.356427  19.360343  -6.818265  -0.736501  -0.612302
     4  C   -0.455028   1.786608  -6.818265  16.699472  -3.920959  -1.223170
     5  C    0.163351  -0.518195  -0.736501  -3.920959  14.776841  -1.821188
     6  C   -0.009958   0.069235  -0.612302  -1.223170  -1.821188   8.529809
     7  O   -0.001113  -0.001432   0.014240  -0.062371  -0.141081   0.420530
     8  C   -0.299660  -0.220971   0.160762  -0.303610   0.002472   0.013818
     9  C   -0.358864  -1.188433   1.485548  -0.389685  -0.056818  -0.063213
    10  C    0.139554   0.957513  -2.086041   0.313556  -0.732036  -0.045635
    11  C   -0.004974   0.015085  -0.165582  -0.061496  -0.133058   0.389147
    12  H    0.082357   0.270742  -0.076225   0.032486   0.050590   0.002181
    13  H    0.004428  -0.146009   0.213710  -0.058112  -0.018482  -0.002645
    14  H    0.137705   0.559567  -2.335994   0.664491   0.228746   0.009169
    15  H    0.077256   0.277685  -0.170790  -0.360853   0.099167   0.021325
    16  H   -0.068605  -0.221421   0.405110   0.383961   0.012275   0.009635
    17  H    0.208471   0.057019  -0.433925   0.078358   0.058335   0.009533
    18  H   -0.063414   0.563156   0.064918  -0.153118   0.037164  -0.010370
    19  H    0.235593  -0.226026   0.186015   0.022539   0.017764   0.007309
    20  H   -0.043213   0.421761  -0.352154   0.174297  -0.002493   0.003975
    21  H   -0.038948   0.078889   0.033849  -0.021928  -0.003250  -0.010750
    22  H    0.066134  -0.240355   0.226932  -0.093784   0.007778   0.001133
    23  H   -0.002912  -0.193010   0.765762  -1.747029  -0.860674   0.238435
    24  H    0.028034   0.069029  -0.627125   0.741385  -1.904446   0.055937
    25  H   -0.003784   0.008631  -0.037760   0.096721  -0.209233   0.036397
    26  H   -0.001250  -0.001647   0.013501  -0.064186   0.333593  -0.011774
    27  H   -0.000575   0.003378  -0.005053   0.041322  -0.177343   0.019406
               7          8          9         10         11         12
     1  C   -0.001113  -0.299660  -0.358864   0.139554  -0.004974   0.082357
     2  C   -0.001432  -0.220971  -1.188433   0.957513   0.015085   0.270742
     3  C    0.014240   0.160762   1.485548  -2.086041  -0.165582  -0.076225
     4  C   -0.062371  -0.303610  -0.389685   0.313556  -0.061496   0.032486
     5  C   -0.141081   0.002472  -0.056818  -0.732036  -0.133058   0.050590
     6  C    0.420530   0.013818  -0.063213  -0.045635   0.389147   0.002181
     7  O    8.435474  -0.000382   0.000885   0.000035  -0.017294   0.000107
     8  C   -0.000382   5.512058  -0.175002  -0.076362   0.004854  -0.191980
     9  C    0.000885  -0.175002   7.254685  -0.737914  -0.009187  -0.487021
    10  C    0.000035  -0.076362  -0.737914   7.723215  -0.028925  -0.008438
    11  C   -0.017294   0.004854  -0.009187  -0.028925   4.793820   0.000411
    12  H    0.000107  -0.191980  -0.487021  -0.008438   0.000411   2.472850
    13  H   -0.000074   0.080648  -0.323896   0.125068  -0.001620  -0.643908
    14  H    0.002050  -0.049103  -0.421539   0.181827   0.009030   0.034856
    15  H    0.000483   0.035859  -0.199680  -0.396420   0.007084   0.199251
    16  H   -0.000916   0.008191   0.154607  -0.562845   0.000384  -0.207821
    17  H   -0.000761  -0.057079  -0.027740   0.164355  -0.002678  -0.009312
    18  H    0.001934  -0.014867  -0.133058  -0.104025  -0.003808   0.011372
    19  H   -0.000246   0.051631   0.023758  -0.097302   0.002972   0.033483
    20  H   -0.000119  -0.029136  -0.117230   0.160560   0.001269  -0.020707
    21  H    0.000239   0.379990  -0.064598  -0.024813   0.001564  -0.002970
    22  H   -0.000014   0.131102   0.143696  -0.062083  -0.000688  -0.027704
    23  H   -0.015623   0.008231   0.117799  -0.074420  -0.083555   0.006980
    24  H   -0.085999  -0.001580  -0.031735   0.278826  -0.062748   0.001602
    25  H    0.024202  -0.000081  -0.003798  -0.002060   0.422716  -0.000016
    26  H   -0.033974   0.000887  -0.000015   0.002310  -0.028149   0.000028
    27  H    0.028338   0.001732  -0.001307  -0.014924   0.432961   0.000009
              13         14         15         16         17         18
     1  C    0.004428   0.137705   0.077256  -0.068605   0.208471  -0.063414
     2  C   -0.146009   0.559567   0.277685  -0.221421   0.057019   0.563156
     3  C    0.213710  -2.335994  -0.170790   0.405110  -0.433925   0.064918
     4  C   -0.058112   0.664491  -0.360853   0.383961   0.078358  -0.153118
     5  C   -0.018482   0.228746   0.099167   0.012275   0.058335   0.037164
     6  C   -0.002645   0.009169   0.021325   0.009635   0.009533  -0.010370
     7  O   -0.000074   0.002050   0.000483  -0.000916  -0.000761   0.001934
     8  C    0.080648  -0.049103   0.035859   0.008191  -0.057079  -0.014867
     9  C   -0.323896  -0.421539  -0.199680   0.154607  -0.027740  -0.133058
    10  C    0.125068   0.181827  -0.396420  -0.562845   0.164355  -0.104025
    11  C   -0.001620   0.009030   0.007084   0.000384  -0.002678  -0.003808
    12  H   -0.643908   0.034856   0.199251  -0.207821  -0.009312   0.011372
    13  H    2.414167  -0.004684  -0.277822   0.142840   0.025177  -0.023747
    14  H   -0.004684   2.807557   0.161818  -0.196078   0.013481   0.010600
    15  H   -0.277822   0.161818   2.817688  -0.629944   0.000705   0.001181
    16  H    0.142840  -0.196078  -0.629944   2.211887   0.005322  -0.009173
    17  H    0.025177   0.013481   0.000705   0.005322   2.016416  -0.456233
    18  H   -0.023747   0.010600   0.001181  -0.009173  -0.456233   1.940680
    19  H   -0.056722   0.007494   0.013489  -0.006763  -0.503088  -0.464133
    20  H    0.009716  -0.049593   0.005944   0.012737   0.015353  -0.027164
    21  H   -0.001486  -0.001437   0.002286  -0.004041  -0.057792   0.018876
    22  H    0.023989   0.024496  -0.010588   0.002514   0.019391   0.008702
    23  H   -0.003447  -0.216454  -0.018082   0.011196   0.028964  -0.018746
    24  H   -0.002772  -0.031561  -0.046596   0.007409   0.015589  -0.034587
    25  H   -0.000097   0.002573   0.001857   0.000084   0.002098  -0.000254
    26  H    0.000020   0.001786  -0.000468   0.000216   0.001825  -0.000292
    27  H   -0.000209   0.001174  -0.000502  -0.000269  -0.013375   0.005111
              19         20         21         22         23         24
     1  C    0.235593  -0.043213  -0.038948   0.066134  -0.002912   0.028034
     2  C   -0.226026   0.421761   0.078889  -0.240355  -0.193010   0.069029
     3  C    0.186015  -0.352154   0.033849   0.226932   0.765762  -0.627125
     4  C    0.022539   0.174297  -0.021928  -0.093784  -1.747029   0.741385
     5  C    0.017764  -0.002493  -0.003250   0.007778  -0.860674  -1.904446
     6  C    0.007309   0.003975  -0.010750   0.001133   0.238435   0.055937
     7  O   -0.000246  -0.000119   0.000239  -0.000014  -0.015623  -0.085999
     8  C    0.051631  -0.029136   0.379990   0.131102   0.008231  -0.001580
     9  C    0.023758  -0.117230  -0.064598   0.143696   0.117799  -0.031735
    10  C   -0.097302   0.160560  -0.024813  -0.062083  -0.074420   0.278826
    11  C    0.002972   0.001269   0.001564  -0.000688  -0.083555  -0.062748
    12  H    0.033483  -0.020707  -0.002970  -0.027704   0.006980   0.001602
    13  H   -0.056722   0.009716  -0.001486   0.023989  -0.003447  -0.002772
    14  H    0.007494  -0.049593  -0.001437   0.024496  -0.216454  -0.031561
    15  H    0.013489   0.005944   0.002286  -0.010588  -0.018082  -0.046596
    16  H   -0.006763   0.012737  -0.004041   0.002514   0.011196   0.007409
    17  H   -0.503088   0.015353  -0.057792   0.019391   0.028964   0.015589
    18  H   -0.464133  -0.027164   0.018876   0.008702  -0.018746  -0.034587
    19  H    1.951762   0.014673   0.005658  -0.016782   0.000263   0.005727
    20  H    0.014673   1.829341  -0.397654  -0.387784   0.034117   0.003557
    21  H    0.005658  -0.397654   1.541526  -0.294546  -0.059849  -0.008195
    22  H   -0.016782  -0.387784  -0.294546   1.581866  -0.008127   0.001807
    23  H    0.000263   0.034117  -0.059849  -0.008127   4.045170   0.268413
    24  H    0.005727   0.003557  -0.008195   0.001807   0.268413   3.303350
    25  H   -0.000312   0.000095   0.000382  -0.000086  -0.056359  -0.022139
    26  H   -0.000033   0.000095   0.000058   0.000030  -0.004746   0.008745
    27  H    0.000034  -0.000172   0.000914   0.000016  -0.034060  -0.017097
              25         26         27
     1  C   -0.003784  -0.001250  -0.000575
     2  C    0.008631  -0.001647   0.003378
     3  C   -0.037760   0.013501  -0.005053
     4  C    0.096721  -0.064186   0.041322
     5  C   -0.209233   0.333593  -0.177343
     6  C    0.036397  -0.011774   0.019406
     7  O    0.024202  -0.033974   0.028338
     8  C   -0.000081   0.000887   0.001732
     9  C   -0.003798  -0.000015  -0.001307
    10  C   -0.002060   0.002310  -0.014924
    11  C    0.422716  -0.028149   0.432961
    12  H   -0.000016   0.000028   0.000009
    13  H   -0.000097   0.000020  -0.000209
    14  H    0.002573   0.001786   0.001174
    15  H    0.001857  -0.000468  -0.000502
    16  H    0.000084   0.000216  -0.000269
    17  H    0.002098   0.001825  -0.013375
    18  H   -0.000254  -0.000292   0.005111
    19  H   -0.000312  -0.000033   0.000034
    20  H    0.000095   0.000095  -0.000172
    21  H    0.000382   0.000058   0.000914
    22  H   -0.000086   0.000030   0.000016
    23  H   -0.056359  -0.004746  -0.034060
    24  H   -0.022139   0.008745  -0.017097
    25  H    1.092083  -0.261801  -0.107234
    26  H   -0.261801   1.665754  -0.287453
    27  H   -0.107234  -0.287453   1.111225
 Mulliken charges:
               1
     1  C    1.072777
     2  C   -1.918087
     3  C    1.032096
     4  C    0.698397
     5  C    1.447683
     6  C   -0.025969
     7  O   -0.567117
     8  C    1.027580
     9  C    1.609754
    10  C    1.007421
    11  C    0.522465
    12  H   -0.523203
    13  H   -0.474032
    14  H   -0.551977
    15  H   -0.611332
    16  H   -0.460493
    17  H   -0.158410
    18  H   -0.146705
    19  H   -0.208758
    20  H   -0.260072
    21  H   -0.071976
    22  H   -0.097045
    23  H   -1.128234
    24  H   -0.912830
    25  H    0.017173
    26  H   -0.333058
    27  H    0.013954
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.558904
     2  C   -1.918087
     3  C    0.480119
     4  C   -0.429838
     5  C    0.534853
     6  C   -0.025969
     7  O   -0.567117
     8  C    0.598487
     9  C    0.612519
    10  C   -0.064404
    11  C    0.220534
 Electronic spatial extent (au):  <R**2>=           2424.5003
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5124    Y=              2.0886    Z=             -1.1441  Tot=              4.2436
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.9229   YY=            -68.5455   ZZ=            -68.5879
   XY=              8.3966   XZ=             -3.4576   YZ=              0.3665
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.9041   YY=              4.4732   ZZ=              4.4309
   XY=              8.3966   XZ=             -3.4576   YZ=              0.3665
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -54.3609  YYY=             -0.5158  ZZZ=             -0.4117  XYY=              1.8021
  XXY=             31.3553  XXZ=            -14.3035  XZZ=             -0.3931  YZZ=             -0.5950
  YYZ=             -0.3087  XYZ=              1.6061
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2671.0529 YYYY=           -568.1011 ZZZZ=           -298.8557 XXXY=            116.2878
 XXXZ=            -57.1750 YYYX=              2.2846 YYYZ=              1.6581 ZZZX=              5.6812
 ZZZY=             -4.0074 XXYY=           -517.4843 XXZZ=           -448.1895 YYZZ=           -143.0590
 XXYZ=             17.8604 YYXZ=             -1.4586 ZZXY=              4.3379
 N-N= 6.118061653967D+02 E-N=-2.304883010294D+03  KE= 4.628785461055D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:24:54 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36998274D+00 7.76974834D-01-4.37281448D-01
 Polarizability= 1.56905145D+02-4.62895229D+00 1.14848454D+02
                 5.96253885D+00-2.88982289D+00 9.71737064D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.4136   -3.4127       -3.0962   -3.0957
 2      3.4136    3.4127        1.5811    1.5822      -23.2059  -23.2023
 3      3.0962    3.0957       32.2099   32.2015       -1.5820   -1.5822
 4     -1.5811   -1.5822       -0.0000    0.0000        3.0974    3.0957
 5     -9.0040   -8.9992       -3.0974   -3.0957       -3.4128   -3.4127
 6      1.5820    1.5822        3.4128    3.4127        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       10.2380   10.2380       -9.2871   -9.2871
 2     -4.7467   -4.7467        0.0000    0.0000       -9.2871   -9.2871
 3     -4.7467   -4.7467       10.2380   10.2380       -0.0000    0.0000
 4     10.2380   10.2380        4.7467    4.7467      -69.6069  -69.6069
 5      9.2871    9.2871       96.6045   96.6045       -4.7467   -4.7467
 6    -26.9976  -26.9976       -9.2871   -9.2871      -10.2380  -10.2380
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3437    0.0000       13.6558   13.6506       12.8253   12.3827
 2    -13.7998  -13.6506       -6.5010   -6.3290       92.5020   92.8092
 3    -12.0566  -12.3827     -128.9576 -128.8059        6.3565    6.3290
 4      6.6067    6.3290        0.0349    0.0000      -12.2984  -12.3827
 5     35.8923   35.9968       12.3635   12.3827       13.5058   13.6506
 6     -6.1965   -6.3290      -13.6465  -13.6506       -0.0770    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1181    0.0000      -12.1100  -11.9486      -40.3252  -40.6890
 2     11.7239   11.9486      -16.9375  -15.7877       33.9920   33.7499
 3     39.9992   40.6890       20.0230   20.5231       14.8532   15.7877
 4     15.5907   15.7877        0.2059    0.0000       40.5136   40.6890
 5    -54.3950  -54.2730      -40.2883  -40.6890      -11.3871  -11.9486
 6    -15.8366  -15.7877       12.0427   11.9486        0.1080    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     32.5258   32.5520       27.1445   27.0131       36.6718   36.5207
 2     52.2266   52.3484       16.7520   16.6554       36.5203   36.5207
 3     52.0789   52.3484       27.3072   27.0131       54.4320   54.4140
 4      9.8689   10.3577      -20.3476  -19.7965       50.1960   50.0698
 5     17.8221   17.8933       40.1766   39.8601       19.7169   19.7965
 6    -90.2074  -89.9299      -17.2928  -17.8933       -9.6773  -10.3577
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5795    0.0008    0.0009    0.0010    2.2632    3.8412
 Low frequencies ---   36.0362   72.0154   86.3935
 Diagonal vibrational polarizability:
       18.1978546      10.1812590      66.2084768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.0333                72.0150                86.3932
 Red. masses --      3.8528                 3.2735                 3.1515
 Frc consts  --      0.0029                 0.0100                 0.0139
 IR Inten    --      3.4167                 0.1986                 1.4861
 RamAct Fr= 1--      1.6397                 0.8444                 0.1502
  Dep-P Fr= 1--      0.7500                 0.6278                 0.7469
  Dep-U Fr= 1--      0.8571                 0.7714                 0.8551
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0000
 Beta2  Fr= 1--      0.2342                 0.1086                 0.0214
 AlphaG Fr= 1--     -0.0001                -0.0112                -0.0000
 Gamma2 Fr= 1--      0.9200                 0.2321                -0.0847
 Delta2 Fr= 1--      0.5162                 0.2563                -0.0692
 Raman1 Fr= 1--       6.559                  3.378                  0.601
 ROA1   Fr= 1--     104.836                 30.482                -10.348
 CID1   Fr= 1--      15.984                  9.025                -17.220
 Raman2 Fr= 1--       2.811                  1.303                  0.257
 ROA2   Fr= 1--      17.950                  3.520                 -1.479
 CID2   Fr= 1--       6.386                  2.703                 -5.758
 Raman3 Fr= 1--       5.622                  2.605                  0.514
 ROA3   Fr= 1--     104.836                 30.482                -10.348
 CID3   Fr= 1--      18.648                 11.700                -20.138
 RC180  Fr= 1--       0.714                  0.543                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.12   0.04     0.23   0.04  -0.07    -0.02  -0.11   0.03
     2   6     0.03  -0.02   0.03     0.07   0.00  -0.01     0.02  -0.00  -0.01
     3   6    -0.01   0.01  -0.06    -0.03  -0.06  -0.10     0.00  -0.09   0.04
     4   6    -0.00  -0.01  -0.09    -0.02  -0.08  -0.14     0.00  -0.11   0.03
     5   6    -0.03   0.02   0.03    -0.02  -0.05  -0.09     0.02  -0.06   0.07
     6   6    -0.03   0.03   0.04    -0.06   0.01   0.03     0.01   0.03  -0.01
     7   8    -0.09   0.09   0.26    -0.05   0.04   0.04     0.09   0.10  -0.07
     8   6     0.04   0.05   0.13     0.05   0.01   0.03     0.20   0.12  -0.02
     9   6    -0.00  -0.00  -0.04     0.03   0.03   0.11    -0.11   0.06  -0.09
    10   6    -0.02  -0.00  -0.11    -0.05  -0.03  -0.03    -0.10  -0.05   0.07
    11   6     0.03  -0.05  -0.25    -0.14   0.06   0.18    -0.12   0.06  -0.03
    12   1    -0.02   0.06  -0.03    -0.07   0.03   0.21    -0.01   0.12  -0.20
    13   1     0.01  -0.05  -0.05     0.14   0.07   0.18    -0.27   0.10  -0.15
    14   1    -0.06   0.07  -0.03    -0.09  -0.06  -0.08     0.02  -0.12   0.03
    15   1    -0.01  -0.06  -0.14     0.03  -0.06  -0.09    -0.20  -0.02   0.15
    16   1    -0.06   0.04  -0.15    -0.17  -0.04  -0.02    -0.07  -0.09   0.11
    17   1     0.12  -0.14   0.07     0.25   0.02  -0.17     0.08  -0.18   0.11
    18   1     0.08  -0.17  -0.04     0.25   0.04  -0.10    -0.15  -0.19   0.04
    19   1     0.12  -0.14   0.08     0.30   0.09   0.00    -0.04  -0.04  -0.01
    20   1    -0.00   0.12   0.12    -0.07  -0.02   0.08     0.22   0.20  -0.05
    21   1     0.06   0.04   0.17     0.07  -0.02  -0.08     0.33   0.04   0.04
    22   1     0.07   0.03   0.18     0.13   0.07   0.11     0.20   0.22  -0.07
    23   1     0.03  -0.04  -0.20    -0.02  -0.08  -0.15    -0.01  -0.12  -0.02
    24   1    -0.06   0.06   0.16    -0.01  -0.06  -0.09     0.07  -0.05   0.12
    25   1     0.10  -0.27  -0.30    -0.14   0.18   0.20    -0.19   0.05  -0.01
    26   1     0.02  -0.04  -0.22    -0.15   0.10   0.21    -0.12   0.14  -0.08
    27   1     0.02   0.10  -0.43    -0.18  -0.04   0.25    -0.14   0.02   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.5737               152.0711               166.1082
 Red. masses --      1.0291                 3.3303                 2.6395
 Frc consts  --      0.0094                 0.0454                 0.0429
 IR Inten    --      0.0277                 1.0902                 1.9110
 RamAct Fr= 1--      0.0879                 0.5987                 0.5868
  Dep-P Fr= 1--      0.6785                 0.7118                 0.6962
  Dep-U Fr= 1--      0.8084                 0.8316                 0.8209
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0006
 Beta2  Fr= 1--      0.0118                 0.0830                 0.0803
 AlphaG Fr= 1--     -0.0006                -0.0093                 0.0017
 Gamma2 Fr= 1--     -0.0087                -0.4958                 0.4927
 Delta2 Fr= 1--      0.0347                -0.0617                -0.0815
 Raman1 Fr= 1--       0.352                  2.395                  2.347
 ROA1   Fr= 1--       0.277                -49.566                 44.693
 CID1   Fr= 1--       0.786                -20.696                 19.041
 Raman2 Fr= 1--       0.142                  0.996                  0.963
 ROA2   Fr= 1--      -0.486                -11.405                 12.478
 CID2   Fr= 1--      -3.417                -11.452                 12.951
 Raman3 Fr= 1--       0.284                  1.992                  1.927
 ROA3   Fr= 1--       0.277                -49.566                 44.693
 CID3   Fr= 1--       0.973                -24.886                 23.195
 RC180  Fr= 1--       0.617                  0.663                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.07   0.01  -0.04     0.02  -0.10  -0.01
     2   6     0.00   0.00   0.00     0.01  -0.01  -0.01    -0.01  -0.02  -0.03
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.05    -0.02  -0.04  -0.02
     4   6    -0.00  -0.00   0.01     0.00  -0.01  -0.02    -0.03   0.07  -0.16
     5   6     0.00  -0.00  -0.00    -0.09   0.09   0.36    -0.06   0.12  -0.01
     6   6    -0.00   0.00   0.01    -0.02   0.02   0.08    -0.03   0.03  -0.01
     7   8     0.01  -0.01  -0.03     0.03  -0.05  -0.16    -0.11  -0.06  -0.03
     8   6     0.00   0.00   0.00    -0.03  -0.02   0.01     0.04   0.04   0.03
     9   6    -0.00   0.00   0.01     0.02  -0.01   0.01    -0.00  -0.02  -0.05
    10   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.10     0.09  -0.00   0.19
    11   6    -0.01   0.00   0.01    -0.01  -0.00  -0.00     0.09   0.01   0.06
    12   1    -0.00   0.00   0.01    -0.05   0.01   0.07     0.15  -0.07  -0.19
    13   1     0.00   0.00   0.01     0.10  -0.02   0.04    -0.17   0.02  -0.11
    14   1     0.00   0.00   0.00     0.01   0.05  -0.05    -0.11  -0.20  -0.02
    15   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.15     0.04   0.24   0.33
    16   1    -0.01   0.00  -0.00    -0.07   0.05  -0.15     0.24  -0.17   0.35
    17   1     0.00   0.00  -0.00     0.07   0.01  -0.08     0.06  -0.12   0.02
    18   1     0.00   0.00   0.00     0.10   0.01  -0.06    -0.01  -0.13  -0.04
    19   1     0.00   0.01   0.00     0.10   0.02  -0.01     0.03  -0.09  -0.00
    20   1    -0.00  -0.00   0.00    -0.06  -0.04   0.02     0.02   0.10   0.01
    21   1     0.00  -0.00  -0.00    -0.05  -0.01  -0.02     0.07   0.02   0.07
    22   1     0.00   0.01   0.00    -0.01  -0.04   0.04     0.05   0.05   0.04
    23   1    -0.01   0.00   0.03     0.09  -0.12  -0.37    -0.05   0.02  -0.34
    24   1     0.01  -0.01  -0.03    -0.15   0.18   0.66    -0.11   0.17   0.12
    25   1     0.53  -0.21  -0.14    -0.04  -0.06  -0.01     0.17   0.06   0.06
    26   1    -0.13   0.15   0.52     0.01  -0.02  -0.07     0.09  -0.07   0.13
    27   1    -0.40   0.05  -0.43     0.03   0.05  -0.02     0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    216.3733               240.6081               253.3285
 Red. masses --      1.3816                 2.2606                 1.7595
 Frc consts  --      0.0381                 0.0771                 0.0665
 IR Inten    --      0.3553                 0.7264                 0.0499
 RamAct Fr= 1--      0.6281                 2.0786                 1.8684
  Dep-P Fr= 1--      0.6871                 0.1909                 0.2327
  Dep-U Fr= 1--      0.8145                 0.3206                 0.3775
 Alpha2 Fr= 1--      0.0007                 0.0289                 0.0232
 Beta2  Fr= 1--      0.0853                 0.1111                 0.1176
 AlphaG Fr= 1--      0.0043                 0.0039                 0.0128
 Gamma2 Fr= 1--     -0.0903                 0.2310                -0.2000
 Delta2 Fr= 1--     -0.0124                 0.1245                 0.1838
 Raman1 Fr= 1--       2.512                  8.314                  7.474
 ROA1   Fr= 1--      -9.069                 26.164                -13.321
 CID1   Fr= 1--      -3.610                  3.147                 -1.782
 Raman2 Fr= 1--       1.023                  1.333                  1.411
 ROA2   Fr= 1--      -2.068                  4.548                 -6.270
 CID2   Fr= 1--      -2.021                  3.412                 -4.445
 Raman3 Fr= 1--       2.046                  2.666                  2.821
 ROA3   Fr= 1--      -9.069                 26.164                -13.321
 CID3   Fr= 1--      -4.432                  9.815                 -4.721
 RC180  Fr= 1--       0.629                 -0.359                 -0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03     0.01  -0.01  -0.01    -0.01   0.01   0.04
     2   6     0.00   0.03  -0.02    -0.03  -0.02   0.01     0.04  -0.02   0.03
     3   6     0.02   0.00  -0.01    -0.05  -0.06   0.01     0.01   0.03   0.01
     4   6     0.03  -0.04  -0.03    -0.03  -0.02  -0.01    -0.02   0.06   0.02
     5   6     0.02  -0.05   0.01     0.04   0.07  -0.03    -0.05   0.02  -0.00
     6   6     0.01  -0.02   0.00     0.07   0.07  -0.01    -0.07  -0.00  -0.00
     7   8     0.04   0.01   0.01     0.01   0.02   0.00    -0.08  -0.03  -0.02
     8   6    -0.10   0.00   0.06    -0.01  -0.03  -0.02     0.12  -0.01  -0.06
     9   6    -0.00   0.04  -0.04    -0.09   0.01   0.06     0.07  -0.04   0.05
    10   6     0.01   0.02   0.04    -0.15  -0.06  -0.04     0.07  -0.00  -0.04
    11   6    -0.05  -0.01   0.00     0.21   0.05   0.04    -0.07  -0.01  -0.02
    12   1     0.05   0.04  -0.10    -0.17   0.04   0.13     0.02  -0.07   0.11
    13   1    -0.08   0.05  -0.07    -0.02   0.04   0.10     0.15  -0.06   0.08
    14   1     0.02  -0.03  -0.02    -0.04  -0.03   0.01    -0.01   0.05   0.03
    15   1    -0.01   0.09   0.09    -0.14  -0.19  -0.10     0.11  -0.04  -0.08
    16   1     0.05  -0.03   0.09    -0.26   0.01  -0.10     0.05   0.04  -0.08
    17   1     0.12  -0.05  -0.06     0.27  -0.20  -0.07     0.28  -0.20   0.02
    18   1    -0.05  -0.02   0.00    -0.25  -0.13   0.11    -0.34  -0.12   0.23
    19   1     0.05   0.12  -0.04     0.04   0.31  -0.08    -0.04   0.36  -0.10
    20   1     0.25   0.18  -0.12     0.17   0.02  -0.10     0.43   0.06  -0.20
    21   1    -0.34   0.22   0.49    -0.06   0.03   0.15     0.11   0.03   0.20
    22   1    -0.35  -0.44  -0.10    -0.13  -0.15  -0.13    -0.07  -0.12  -0.29
    23   1     0.07  -0.06  -0.07    -0.11  -0.01  -0.04    -0.03   0.07   0.06
    24   1     0.01  -0.04   0.05     0.10   0.06  -0.01    -0.08   0.02  -0.05
    25   1    -0.05  -0.02   0.00     0.26   0.10   0.04    -0.09  -0.03  -0.02
    26   1    -0.05   0.03   0.00     0.22  -0.07   0.08    -0.07   0.01  -0.04
    27   1    -0.08  -0.04   0.00     0.26   0.09   0.04    -0.07  -0.00  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    268.4929               284.1120               355.9930
 Red. masses --      1.6473                 1.5031                 2.2780
 Frc consts  --      0.0700                 0.0715                 0.1701
 IR Inten    --      0.1351                 0.1675                 0.0425
 RamAct Fr= 1--      1.1011                 1.3097                 1.3738
  Dep-P Fr= 1--      0.1612                 0.2545                 0.4906
  Dep-U Fr= 1--      0.2776                 0.4058                 0.6582
 Alpha2 Fr= 1--      0.0165                 0.0153                 0.0071
 Beta2  Fr= 1--      0.0509                 0.0886                 0.1507
 AlphaG Fr= 1--      0.0311                 0.0410                -0.0224
 Gamma2 Fr= 1--      0.6562                -0.8719                 0.1132
 Delta2 Fr= 1--      0.2275                -0.1112                 0.0746
 Raman1 Fr= 1--       4.404                  5.239                  5.495
 ROA1   Fr= 1--      70.274                -87.262                 13.259
 CID1   Fr= 1--      15.956                -16.657                  2.413
 Raman2 Fr= 1--       0.611                  1.063                  1.809
 ROA2   Fr= 1--      13.928                -20.037                  2.121
 CID2   Fr= 1--      22.785                -18.850                  1.173
 Raman3 Fr= 1--       1.223                  2.126                  3.617
 ROA3   Fr= 1--      70.274                -87.262                 13.259
 CID3   Fr= 1--      57.480                -41.048                  3.666
 RC180  Fr= 1--      -0.445                 -0.188                  0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.03  -0.09     0.09  -0.03  -0.05    -0.04   0.20  -0.04
     2   6    -0.02  -0.01  -0.04     0.01  -0.01  -0.02    -0.00  -0.07   0.02
     3   6     0.00   0.01   0.01    -0.01  -0.02   0.01    -0.00  -0.07   0.01
     4   6    -0.03   0.05   0.14    -0.05   0.05   0.12    -0.03  -0.03   0.01
     5   6    -0.01   0.00   0.02    -0.02   0.03   0.01    -0.01   0.00   0.00
     6   6    -0.01   0.00   0.02    -0.03   0.02   0.01    -0.02   0.02  -0.00
     7   8    -0.00  -0.00  -0.01    -0.04  -0.01  -0.02    -0.03  -0.00  -0.01
     8   6    -0.06  -0.00   0.02     0.05   0.00  -0.04     0.07   0.05   0.14
     9   6    -0.02  -0.01  -0.06    -0.02   0.00   0.01     0.00  -0.10  -0.09
    10   6     0.02   0.00   0.03    -0.02  -0.03   0.01     0.02  -0.09  -0.04
    11   6    -0.01  -0.01  -0.02     0.02   0.01  -0.02     0.03   0.01  -0.00
    12   1     0.05  -0.01  -0.12    -0.02  -0.00   0.01     0.08  -0.02  -0.18
    13   1    -0.10  -0.01  -0.09    -0.02   0.03   0.02    -0.11  -0.18  -0.17
    14   1     0.09  -0.02  -0.02     0.05  -0.04  -0.00    -0.02  -0.05   0.02
    15   1    -0.01   0.06   0.07    -0.03  -0.05   0.01    -0.01  -0.08  -0.01
    16   1     0.08  -0.03   0.06    -0.04  -0.02   0.01     0.07  -0.08  -0.06
    17   1     0.44  -0.26  -0.21    -0.21   0.19  -0.05    -0.15   0.27  -0.28
    18   1    -0.15  -0.18  -0.01     0.45   0.11  -0.26     0.06   0.40   0.18
    19   1     0.22   0.37  -0.09     0.14  -0.40   0.13    -0.07   0.30  -0.11
    20   1    -0.28  -0.05   0.12     0.29   0.10  -0.16     0.00   0.26   0.11
    21   1    -0.02  -0.05  -0.17    -0.01   0.07   0.22     0.16  -0.00   0.29
    22   1     0.08   0.11   0.17    -0.11  -0.15  -0.19     0.12   0.05   0.23
    23   1    -0.06   0.10   0.32    -0.12   0.10   0.28    -0.07  -0.01   0.04
    24   1     0.02  -0.04  -0.14     0.01  -0.01  -0.14     0.03  -0.00  -0.02
    25   1    -0.04  -0.05  -0.03     0.01  -0.02  -0.02     0.04   0.02  -0.00
    26   1    -0.00  -0.01  -0.06     0.03  -0.03  -0.04     0.03  -0.03   0.00
    27   1     0.01   0.02  -0.03     0.06   0.05  -0.03     0.05   0.04  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    374.3030               447.5729               472.0920
 Red. masses --      2.2013                 2.5776                 2.9677
 Frc consts  --      0.1817                 0.3042                 0.3897
 IR Inten    --      0.3700                 0.0886                 1.9320
 RamAct Fr= 1--      0.3577                 1.5158                 0.4024
  Dep-P Fr= 1--      0.7399                 0.2678                 0.3006
  Dep-U Fr= 1--      0.8505                 0.4225                 0.4622
 Alpha2 Fr= 1--      0.0001                 0.0171                 0.0041
 Beta2  Fr= 1--      0.0507                 0.1067                 0.0310
 AlphaG Fr= 1--     -0.0012                 0.0493                -0.0132
 Gamma2 Fr= 1--      0.2400                -0.1295                 0.3097
 Delta2 Fr= 1--      0.1221                -0.3893                -0.0676
 Raman1 Fr= 1--       1.431                  6.063                  1.610
 ROA1   Fr= 1--      26.951                -24.887                 27.565
 CID1   Fr= 1--      18.835                 -4.105                 17.126
 Raman2 Fr= 1--       0.609                  1.281                  0.372
 ROA2   Fr= 1--       4.783                  0.006                  7.973
 CID2   Fr= 1--       7.861                  0.005                 21.434
 Raman3 Fr= 1--       1.217                  2.562                  0.744
 ROA3   Fr= 1--      26.951                -24.887                 27.565
 CID3   Fr= 1--      22.144                 -9.716                 37.051
 RC180  Fr= 1--       0.701                 -0.155                 -0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.06  -0.11    -0.06  -0.00   0.04    -0.02   0.00  -0.03
     2   6    -0.05   0.00  -0.13     0.18   0.05  -0.07     0.03  -0.03  -0.03
     3   6    -0.01  -0.02  -0.08     0.09  -0.10  -0.07     0.05  -0.05   0.03
     4   6    -0.01  -0.01   0.03     0.01  -0.04   0.04     0.03   0.17  -0.04
     5   6     0.00  -0.01   0.02     0.00  -0.01   0.02     0.07   0.20  -0.04
     6   6     0.01  -0.00   0.03    -0.07   0.06   0.04     0.14  -0.04   0.04
     7   8     0.04   0.01  -0.00    -0.12  -0.02  -0.05     0.06  -0.14   0.06
     8   6    -0.01   0.16   0.05    -0.02  -0.05   0.04     0.01  -0.02   0.03
     9   6     0.05  -0.05   0.13     0.08   0.15  -0.01    -0.04   0.03   0.01
    10   6     0.04  -0.00   0.02    -0.02  -0.06   0.01    -0.07  -0.08   0.01
    11   6     0.01  -0.01  -0.00     0.02   0.04  -0.02    -0.13  -0.01  -0.02
    12   1    -0.12  -0.30   0.33     0.08   0.21  -0.02    -0.07   0.04   0.04
    13   1     0.31   0.10   0.30     0.02   0.26   0.00    -0.03   0.09   0.04
    14   1     0.07  -0.09  -0.11     0.11  -0.13  -0.08     0.04  -0.12   0.02
    15   1     0.15   0.02  -0.04    -0.03  -0.10  -0.00    -0.13  -0.23  -0.02
    16   1    -0.03  -0.02   0.04    -0.16  -0.08   0.04    -0.17  -0.00  -0.06
    17   1    -0.08  -0.07  -0.01    -0.08   0.03   0.30    -0.05   0.02  -0.03
    18   1    -0.16  -0.11  -0.11    -0.18  -0.03   0.16    -0.02   0.03   0.02
    19   1    -0.15  -0.09  -0.17    -0.26  -0.08  -0.20    -0.06   0.00  -0.08
    20   1    -0.09   0.41   0.00    -0.20  -0.11   0.13    -0.06   0.02   0.05
    21   1     0.08   0.11   0.22    -0.24   0.08  -0.08    -0.03   0.00   0.04
    22   1     0.06   0.13   0.16     0.06  -0.24   0.24     0.04  -0.07   0.11
    23   1    -0.02   0.01   0.12    -0.08   0.02   0.23    -0.16   0.18  -0.11
    24   1     0.03  -0.04  -0.06     0.10  -0.06  -0.14    -0.08   0.21  -0.06
    25   1    -0.01  -0.04  -0.01     0.02  -0.02  -0.03    -0.33  -0.17  -0.02
    26   1     0.02  -0.01  -0.03     0.04  -0.05  -0.06    -0.17   0.41  -0.15
    27   1     0.03   0.01  -0.01     0.10   0.15  -0.06    -0.34  -0.20  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    523.0297               570.5475               596.2488
 Red. masses --      2.8563                 3.0336                 2.6852
 Frc consts  --      0.4604                 0.5818                 0.5625
 IR Inten    --      5.8091                13.4574                 4.6790
 RamAct Fr= 1--      1.0876                 3.2952                 9.6643
  Dep-P Fr= 1--      0.5390                 0.0619                 0.1074
  Dep-U Fr= 1--      0.7004                 0.1166                 0.1940
 Alpha2 Fr= 1--      0.0044                 0.0633                 0.1662
 Beta2  Fr= 1--      0.1270                 0.0640                 0.3124
 AlphaG Fr= 1--     -0.0008                 0.1206                 0.0677
 Gamma2 Fr= 1--      0.4500                 0.0208                -0.0648
 Delta2 Fr= 1--     -0.0961                 0.1965                 0.3155
 Raman1 Fr= 1--       4.351                 13.181                 38.657
 ROA1   Fr= 1--      40.129                  8.285                  3.878
 CID1   Fr= 1--       9.224                  0.629                  0.100
 Raman2 Fr= 1--       1.524                  0.768                  3.749
 ROA2   Fr= 1--      11.570                 -1.073                 -4.079
 CID2   Fr= 1--       7.593                 -1.396                 -1.088
 Raman3 Fr= 1--       3.047                  1.537                  7.498
 ROA3   Fr= 1--      40.129                  8.285                  3.878
 CID3   Fr= 1--      13.168                  5.390                  0.517
 RC180  Fr= 1--       0.401                 -0.767                 -0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02   0.05    -0.01  -0.01  -0.04     0.04   0.03   0.09
     2   6     0.03  -0.03   0.03     0.07  -0.01  -0.05    -0.04   0.11   0.03
     3   6    -0.08  -0.00  -0.16     0.03  -0.02   0.06    -0.01  -0.08   0.10
     4   6    -0.08   0.05  -0.07    -0.04   0.14   0.03    -0.04  -0.01  -0.06
     5   6    -0.07   0.03  -0.03    -0.13   0.02   0.01    -0.02   0.02  -0.05
     6   6    -0.02  -0.01   0.20    -0.06  -0.11  -0.16    -0.03   0.01   0.10
     7   8     0.17   0.06  -0.04     0.09   0.17   0.03     0.04   0.02  -0.03
     8   6     0.05  -0.07   0.02     0.02  -0.03   0.02    -0.11   0.17  -0.09
     9   6    -0.02   0.01   0.00     0.03   0.05  -0.01     0.10  -0.03  -0.03
    10   6    -0.02   0.03  -0.00    -0.01  -0.07   0.02     0.07  -0.15   0.00
    11   6     0.01  -0.10   0.03     0.01  -0.16   0.04    -0.00  -0.04   0.02
    12   1     0.01   0.09  -0.03     0.03   0.06  -0.01     0.21  -0.06  -0.14
    13   1    -0.06  -0.03  -0.03    -0.01   0.13   0.01    -0.04  -0.05  -0.10
    14   1    -0.19   0.04  -0.12     0.06  -0.11   0.03    -0.08  -0.19   0.10
    15   1     0.04   0.31   0.08    -0.07  -0.26  -0.03     0.07  -0.46  -0.14
    16   1     0.03  -0.17   0.20    -0.11   0.05  -0.10    -0.10   0.08  -0.23
    17   1    -0.04   0.05   0.07    -0.03   0.01   0.03     0.11  -0.03   0.16
    18   1    -0.02   0.06   0.14    -0.04   0.00   0.01     0.02  -0.08  -0.08
    19   1    -0.07   0.03  -0.04    -0.08  -0.04  -0.12     0.12  -0.01   0.20
    20   1     0.09  -0.11   0.01    -0.06  -0.01   0.05    -0.09   0.10  -0.08
    21   1     0.04  -0.07   0.01    -0.05   0.02   0.02    -0.15   0.18  -0.13
    22   1     0.02  -0.06  -0.03     0.06  -0.12   0.12    -0.14   0.19  -0.13
    23   1    -0.18   0.14   0.23    -0.03   0.10  -0.11    -0.14   0.01  -0.04
    24   1    -0.10  -0.06  -0.37    -0.36   0.08   0.13    -0.04   0.01  -0.10
    25   1    -0.07  -0.39  -0.02     0.21   0.23   0.08    -0.04  -0.23  -0.01
    26   1     0.06  -0.17  -0.15    -0.01  -0.37   0.29     0.03  -0.09  -0.09
    27   1     0.14   0.14  -0.12     0.01  -0.29   0.20     0.08   0.12  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    631.4745               745.3666               788.7358
 Red. masses --      2.8526                 2.3388                 1.7675
 Frc consts  --      0.6702                 0.7656                 0.6479
 IR Inten    --      1.3393                 0.9071                 0.4471
 RamAct Fr= 1--      4.0629                 6.0776                 2.9973
  Dep-P Fr= 1--      0.0627                 0.0097                 0.0829
  Dep-U Fr= 1--      0.1180                 0.0192                 0.1532
 Alpha2 Fr= 1--      0.0779                 0.1320                 0.0547
 Beta2  Fr= 1--      0.0799                 0.0195                 0.0765
 AlphaG Fr= 1--     -0.2850                -0.1276                -0.1358
 Gamma2 Fr= 1--     -1.1009                 0.3002                -0.3120
 Delta2 Fr= 1--      0.3354                 0.0769                -0.0995
 Raman1 Fr= 1--      16.251                 24.311                 11.989
 ROA1   Fr= 1--     -94.953                 31.283                -33.131
 CID1   Fr= 1--      -5.843                  1.287                 -2.763
 Raman2 Fr= 1--       0.959                  0.233                  0.918
 ROA2   Fr= 1--     -29.104                  6.591                 -6.692
 CID2   Fr= 1--     -30.349                 28.239                 -7.288
 Raman3 Fr= 1--       1.918                  0.467                  1.836
 ROA3   Fr= 1--     -94.953                 31.283                -33.131
 CID3   Fr= 1--     -49.508                 67.017                -18.042
 RC180  Fr= 1--      -0.764                 -0.962                 -0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.05   0.04   0.13     0.02   0.01  -0.01
     2   6    -0.02  -0.05  -0.02     0.01  -0.00  -0.01     0.09   0.04  -0.05
     3   6     0.11   0.06   0.15     0.12  -0.05  -0.08    -0.05  -0.02   0.14
     4   6     0.15   0.07  -0.08     0.12   0.07  -0.00    -0.11  -0.06   0.02
     5   6     0.03  -0.06  -0.08     0.05   0.03   0.03    -0.02   0.01  -0.05
     6   6    -0.12   0.04   0.15    -0.05   0.00  -0.03     0.02   0.01   0.02
     7   8    -0.03   0.04  -0.07    -0.04   0.04  -0.01     0.02  -0.01   0.00
     8   6     0.03  -0.05   0.03    -0.06   0.08  -0.05     0.03   0.01  -0.01
     9   6    -0.08   0.01   0.01    -0.09  -0.10  -0.04    -0.04  -0.02  -0.07
    10   6    -0.03   0.03   0.04    -0.07  -0.04  -0.03     0.04   0.05  -0.05
    11   6    -0.02  -0.02   0.03    -0.03  -0.06   0.00     0.01   0.00   0.02
    12   1    -0.14  -0.05   0.09    -0.36  -0.12   0.23    -0.35  -0.05   0.25
    13   1     0.02   0.07   0.07     0.27  -0.18   0.10     0.39  -0.01   0.11
    14   1     0.10  -0.02   0.14     0.17  -0.03  -0.09    -0.06  -0.03   0.14
    15   1    -0.18  -0.25   0.02    -0.26   0.24   0.22    -0.18   0.17   0.15
    16   1    -0.04   0.21  -0.15     0.18  -0.30   0.21     0.46   0.03  -0.05
    17   1    -0.04  -0.03  -0.23     0.05   0.04   0.14     0.01   0.02   0.09
    18   1     0.02   0.01  -0.10     0.06   0.05   0.15    -0.01  -0.01   0.00
    19   1     0.02   0.02  -0.04     0.05   0.05   0.14    -0.04  -0.04  -0.07
    20   1    -0.01   0.02   0.03    -0.07   0.08  -0.04    -0.09  -0.04   0.05
    21   1     0.07  -0.07   0.08    -0.09   0.10  -0.06    -0.17   0.14  -0.06
    22   1     0.07  -0.06   0.09    -0.06   0.07  -0.04     0.07  -0.21   0.14
    23   1     0.27   0.02  -0.18     0.09   0.10   0.09    -0.18  -0.09  -0.17
    24   1    -0.08  -0.04  -0.06     0.00   0.01  -0.07    -0.03   0.06   0.13
    25   1     0.00  -0.32  -0.04     0.04   0.05   0.01    -0.05  -0.12   0.00
    26   1     0.05  -0.27  -0.13    -0.03  -0.17   0.07     0.02   0.06  -0.06
    27   1     0.21   0.34  -0.16     0.01  -0.06   0.05    -0.01   0.03  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    815.1466               867.3137               881.8073
 Red. masses --      3.3642                 1.8419                 1.8032
 Frc consts  --      1.3171                 0.8164                 0.8261
 IR Inten    --      3.7644                 1.4567                 0.5463
 RamAct Fr= 1--     15.5778                11.4177                12.7791
  Dep-P Fr= 1--      0.5281                 0.5865                 0.6346
  Dep-U Fr= 1--      0.6912                 0.7393                 0.7765
 Alpha2 Fr= 1--      0.0670                 0.0349                 0.0267
 Beta2  Fr= 1--      1.7945                 1.4069                 1.6538
 AlphaG Fr= 1--     -0.0429                -0.2990                 0.3046
 Gamma2 Fr= 1--     -1.2689                -8.1631                 7.0135
 Delta2 Fr= 1--     -0.1851                -0.0840                 0.1667
 Raman1 Fr= 1--      62.311                 45.671                 51.116
 ROA1   Fr= 1--    -127.741               -786.341                678.630
 CID1   Fr= 1--      -2.050                -17.218                 13.276
 Raman2 Fr= 1--      21.534                 16.883                 19.846
 ROA2   Fr= 1--     -28.973               -195.242                166.990
 CID2   Fr= 1--      -1.345                -11.564                  8.414
 Raman3 Fr= 1--      43.067                 33.766                 39.691
 ROA3   Fr= 1--    -127.741               -786.341                678.630
 CID3   Fr= 1--      -2.966                -23.288                 17.098
 RC180  Fr= 1--       0.382                  0.479                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.04    -0.06  -0.02  -0.02    -0.02  -0.01   0.01
     2   6     0.04  -0.00  -0.03    -0.09  -0.01   0.06    -0.06  -0.03   0.03
     3   6    -0.01   0.04  -0.00     0.05  -0.06   0.04     0.02  -0.02  -0.04
     4   6     0.02   0.11  -0.03     0.01  -0.03  -0.10    -0.04   0.04   0.12
     5   6    -0.18  -0.16   0.01    -0.03   0.02   0.09     0.01  -0.03  -0.12
     6   6     0.01  -0.13   0.04    -0.00  -0.02  -0.01    -0.00  -0.01   0.01
     7   8     0.08  -0.08   0.04     0.01  -0.00   0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.02  -0.02    -0.01  -0.03   0.04    -0.04  -0.02   0.02
     9   6    -0.02  -0.05  -0.02     0.05   0.13  -0.06     0.10   0.10  -0.02
    10   6    -0.03  -0.07   0.03     0.05  -0.02  -0.03    -0.01  -0.07  -0.05
    11   6     0.04   0.28  -0.07     0.01   0.01  -0.03    -0.01   0.03   0.03
    12   1    -0.08  -0.07   0.05    -0.19   0.14   0.19    -0.01   0.19   0.08
    13   1     0.05  -0.02   0.02     0.33   0.18   0.08     0.17   0.11   0.01
    14   1    -0.06  -0.08  -0.01    -0.15  -0.07   0.09     0.17   0.11  -0.06
    15   1    -0.13  -0.12   0.08    -0.16   0.00   0.12    -0.07   0.18   0.10
    16   1    -0.00  -0.06   0.01     0.19  -0.05  -0.01     0.02  -0.31   0.19
    17   1     0.01   0.03   0.09     0.01  -0.08  -0.26     0.00  -0.03  -0.10
    18   1     0.01   0.03   0.08     0.05  -0.01  -0.15     0.03   0.00  -0.03
    19   1    -0.03  -0.01  -0.03     0.14   0.09   0.20     0.06   0.04   0.10
    20   1    -0.04   0.02  -0.00     0.08  -0.04   0.00     0.06   0.05  -0.04
    21   1    -0.07   0.07  -0.03     0.14  -0.14   0.05     0.16  -0.15   0.07
    22   1     0.01  -0.05   0.03    -0.04   0.14  -0.08    -0.05   0.19  -0.10
    23   1     0.21   0.10   0.06    -0.13   0.10   0.31     0.05  -0.10  -0.39
    24   1    -0.51  -0.15  -0.09     0.03  -0.10  -0.37    -0.17   0.13   0.44
    25   1     0.14   0.36  -0.07     0.04   0.18  -0.00    -0.01  -0.15  -0.01
    26   1     0.05   0.23  -0.04    -0.01   0.02   0.07     0.02  -0.02  -0.09
    27   1     0.13   0.34  -0.05    -0.02  -0.10   0.07     0.06   0.19  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    916.8626               950.5275               957.6920
 Red. masses --      2.1259                 2.0932                 1.9187
 Frc consts  --      1.0530                 1.1143                 1.0369
 IR Inten    --      0.4332                 4.0102                 5.4447
 RamAct Fr= 1--     10.7282                 1.5546                14.2292
  Dep-P Fr= 1--      0.4262                 0.6330                 0.4583
  Dep-U Fr= 1--      0.5977                 0.7753                 0.6285
 Alpha2 Fr= 1--      0.0722                 0.0033                 0.0843
 Beta2  Fr= 1--      1.0686                 0.2009                 1.4905
 AlphaG Fr= 1--      0.2539                -0.0215                 0.1582
 Gamma2 Fr= 1--      1.8399                 2.3881                 2.9761
 Delta2 Fr= 1--     -1.1636                 0.5565                 0.8715
 Raman1 Fr= 1--      42.913                  6.218                 56.917
 ROA1   Fr= 1--     139.395                247.060                313.596
 CID1   Fr= 1--       3.248                 39.731                  5.510
 Raman2 Fr= 1--      12.824                  2.410                 17.886
 ROA2   Fr= 1--      53.467                 52.861                 64.455
 CID2   Fr= 1--       4.169                 21.930                  3.604
 Raman3 Fr= 1--      25.647                  4.821                 35.772
 ROA3   Fr= 1--     139.395                247.060                313.596
 CID3   Fr= 1--       5.435                 51.248                  8.766
 RC180  Fr= 1--       0.195                  0.551                  0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.14    -0.02   0.07   0.00    -0.01   0.07   0.08
     2   6    -0.07  -0.06  -0.07    -0.03   0.07  -0.01    -0.03   0.01  -0.09
     3   6     0.06  -0.09  -0.07     0.07  -0.05  -0.00    -0.10   0.12   0.00
     4   6    -0.05  -0.01   0.03    -0.04  -0.02   0.00     0.03   0.01  -0.01
     5   6    -0.02  -0.00  -0.03    -0.02   0.02  -0.01     0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.04  -0.01
     7   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.02   0.01  -0.01
     8   6    -0.01  -0.05  -0.02     0.02  -0.07   0.01     0.04  -0.09  -0.04
     9   6    -0.11   0.06  -0.01     0.14  -0.07  -0.06     0.01   0.02  -0.05
    10   6     0.11   0.12   0.02    -0.14   0.15   0.05    -0.00  -0.12   0.02
    11   6     0.00   0.02   0.00     0.00   0.01  -0.00     0.02  -0.03   0.01
    12   1    -0.10  -0.23   0.00     0.14  -0.16  -0.05    -0.05  -0.20   0.03
    13   1    -0.08   0.31   0.08     0.28  -0.39  -0.11     0.06   0.32   0.07
    14   1     0.24  -0.35  -0.16     0.15  -0.13  -0.03    -0.17   0.15   0.03
    15   1     0.15  -0.19  -0.15    -0.24  -0.02   0.05     0.04  -0.06   0.02
    16   1     0.03   0.38  -0.25    -0.33   0.16   0.06    -0.05  -0.16   0.06
    17   1     0.00   0.03  -0.03     0.15  -0.04   0.21     0.16  -0.04   0.17
    18   1     0.11   0.11   0.21    -0.08  -0.16  -0.31    -0.00  -0.10  -0.21
    19   1     0.09   0.11   0.18     0.09  -0.07   0.19     0.16   0.00   0.32
    20   1    -0.07   0.15  -0.05    -0.03   0.11  -0.02    -0.19   0.28  -0.06
    21   1     0.12  -0.12   0.12     0.13  -0.12   0.15     0.09  -0.09   0.22
    22   1     0.06   0.00   0.06     0.10  -0.04   0.11     0.22  -0.21   0.26
    23   1    -0.10  -0.04  -0.12    -0.16  -0.02  -0.06     0.20   0.01   0.10
    24   1    -0.06   0.02   0.05    -0.08   0.01  -0.05     0.12  -0.03   0.04
    25   1     0.00  -0.01  -0.00     0.01   0.03  -0.00    -0.07  -0.08   0.02
    26   1     0.01   0.01  -0.02     0.00  -0.00   0.00     0.00   0.09  -0.02
    27   1     0.01   0.04  -0.02     0.01   0.02  -0.00    -0.06  -0.10   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    970.5649              1001.6269              1004.0735
 Red. masses --      1.5809                 1.2805                 1.7274
 Frc consts  --      0.8774                 0.7569                 1.0260
 IR Inten    --      2.1897                10.8812                 0.6330
 RamAct Fr= 1--     16.1685                27.7721                 5.7267
  Dep-P Fr= 1--      0.2830                 0.3008                 0.5022
  Dep-U Fr= 1--      0.4411                 0.4625                 0.6686
 Alpha2 Fr= 1--      0.1744                 0.2842                 0.0280
 Beta2  Fr= 1--      1.1887                 2.1407                 0.6381
 AlphaG Fr= 1--      0.0604                 0.4596                -0.0575
 Gamma2 Fr= 1--     -0.5315                 6.1614                 0.0520
 Delta2 Fr= 1--     -0.8101                 0.5479                 0.2888
 Raman1 Fr= 1--      64.674                111.088                 22.907
 ROA1   Fr= 1--     -76.943                609.027                 14.235
 CID1   Fr= 1--      -1.190                  5.482                  0.621
 Raman2 Fr= 1--      14.265                 25.688                  7.658
 ROA2   Fr= 1--      -6.274                143.490                 -1.062
 CID2   Fr= 1--      -0.440                  5.586                 -0.139
 Raman3 Fr= 1--      28.530                 51.376                 15.315
 ROA3   Fr= 1--     -76.943                609.027                 14.235
 CID3   Fr= 1--      -2.697                 11.854                  0.930
 RC180  Fr= 1--      -0.118                 -0.075                  0.337
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.04     0.07   0.03  -0.02     0.04  -0.05   0.04
     2   6     0.01  -0.03  -0.02     0.00  -0.01  -0.01     0.04  -0.12  -0.02
     3   6    -0.03   0.07  -0.01    -0.02   0.03   0.00     0.02   0.01   0.09
     4   6    -0.02  -0.01   0.00     0.01   0.01  -0.01    -0.02  -0.02  -0.02
     5   6    -0.01  -0.02  -0.00    -0.03  -0.04   0.00    -0.02   0.02   0.03
     6   6     0.02   0.03  -0.01     0.01   0.03  -0.00    -0.00  -0.01   0.00
     7   8    -0.01   0.01  -0.01    -0.02   0.02  -0.01     0.01  -0.00   0.00
     8   6    -0.00   0.04   0.02    -0.07  -0.04   0.02    -0.07   0.01  -0.12
     9   6     0.09  -0.01  -0.10     0.00   0.00  -0.00     0.07   0.02   0.04
    10   6    -0.07   0.02   0.08     0.01  -0.01   0.01    -0.05   0.04  -0.03
    11   6     0.03  -0.03   0.02     0.05  -0.03   0.02     0.00   0.00  -0.01
    12   1    -0.01  -0.35   0.04    -0.07   0.22   0.05     0.13   0.23  -0.04
    13   1     0.31   0.17   0.05     0.04  -0.11  -0.02    -0.06  -0.05  -0.04
    14   1    -0.05  -0.04  -0.02     0.01  -0.27  -0.05     0.00   0.23   0.13
    15   1    -0.13  -0.15   0.04    -0.18  -0.12   0.09    -0.03   0.18   0.02
    16   1    -0.28   0.08   0.02     0.17   0.10  -0.11    -0.04  -0.05   0.07
    17   1    -0.16   0.04  -0.32     0.01   0.09   0.34    -0.08   0.03  -0.12
    18   1     0.16   0.23   0.39    -0.12  -0.05   0.09     0.09   0.13   0.29
    19   1    -0.04   0.16  -0.11    -0.17  -0.15  -0.28    -0.05   0.05  -0.11
    20   1     0.10  -0.19   0.05     0.11   0.11  -0.08    -0.29   0.51  -0.19
    21   1    -0.07   0.07  -0.15     0.26  -0.25   0.11     0.09  -0.06   0.21
    22   1    -0.10   0.04  -0.12    -0.08   0.29  -0.14     0.13   0.02   0.16
    23   1     0.08  -0.02   0.04     0.10   0.03   0.12    -0.08  -0.04  -0.14
    24   1     0.05  -0.01   0.04    -0.00  -0.02   0.07     0.02  -0.07  -0.29
    25   1    -0.09  -0.10   0.02    -0.13  -0.12   0.03     0.00   0.03  -0.00
    26   1     0.01   0.14  -0.04     0.02   0.24  -0.06     0.00   0.01   0.01
    27   1    -0.08  -0.10  -0.01    -0.12  -0.15  -0.01    -0.01  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1018.2532              1024.5104              1050.6240
 Red. masses --      1.4460                 1.2882                 1.8829
 Frc consts  --      0.8834                 0.7966                 1.2245
 IR Inten    --     18.6180                20.8321                 1.0431
 RamAct Fr= 1--      7.5398                 5.1765                 0.9875
  Dep-P Fr= 1--      0.5744                 0.2620                 0.6107
  Dep-U Fr= 1--      0.7296                 0.4153                 0.7583
 Alpha2 Fr= 1--      0.0249                 0.0593                 0.0025
 Beta2  Fr= 1--      0.9169                 0.3583                 0.1248
 AlphaG Fr= 1--     -0.3578                 0.6275                 0.0063
 Gamma2 Fr= 1--     -1.7541                 3.4539                 0.2194
 Delta2 Fr= 1--      1.0132                -0.1185                -0.1578
 Raman1 Fr= 1--      30.159                 20.706                  3.950
 ROA1   Fr= 1--    -135.967                327.780                 16.011
 CID1   Fr= 1--      -4.508                 15.830                  4.053
 Raman2 Fr= 1--      11.003                  4.299                  1.498
 ROA2   Fr= 1--     -50.204                 83.841                  6.528
 CID2   Fr= 1--      -4.563                 19.501                  4.359
 Raman3 Fr= 1--      22.005                  8.599                  2.995
 ROA3   Fr= 1--    -135.967                327.780                 16.011
 CID3   Fr= 1--      -6.179                 38.120                  5.345
 RC180  Fr= 1--       0.459                 -0.169                  0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.01    -0.04  -0.02   0.01     0.00   0.00  -0.00
     2   6    -0.00   0.02   0.02     0.01  -0.02   0.02    -0.00   0.00  -0.00
     3   6     0.07  -0.02  -0.02     0.05  -0.03   0.00     0.00   0.01   0.00
     4   6    -0.02   0.02   0.04     0.02  -0.00  -0.05    -0.01   0.01   0.04
     5   6    -0.09  -0.04   0.03    -0.03  -0.05  -0.05     0.01  -0.02  -0.07
     6   6     0.01   0.02  -0.02    -0.00   0.02   0.02    -0.05   0.06   0.20
     7   8    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.01  -0.01  -0.04
     8   6     0.03   0.02   0.00     0.01   0.02  -0.04    -0.00  -0.00   0.01
     9   6    -0.03  -0.01   0.03    -0.01   0.00   0.04    -0.00  -0.00  -0.00
    10   6     0.01  -0.01  -0.01     0.00   0.03  -0.02    -0.00  -0.01   0.00
    11   6     0.10  -0.02   0.04     0.06  -0.02   0.01     0.03  -0.04  -0.15
    12   1     0.00   0.02  -0.01     0.05   0.08  -0.03    -0.00  -0.02   0.00
    13   1    -0.08  -0.04  -0.00    -0.07  -0.10  -0.02    -0.00   0.03   0.01
    14   1     0.12   0.08  -0.02    -0.02   0.03   0.03     0.04   0.03  -0.01
    15   1     0.03   0.02  -0.01     0.00   0.05  -0.01     0.01   0.00  -0.00
    16   1    -0.01  -0.06   0.03    -0.03  -0.02   0.03     0.00  -0.01   0.01
    17   1     0.03  -0.05  -0.08    -0.01  -0.05  -0.16     0.00   0.01   0.02
    18   1     0.01  -0.03  -0.13     0.05   0.02  -0.05    -0.01  -0.00   0.00
    19   1     0.07   0.02   0.13     0.08   0.07   0.13    -0.01  -0.01  -0.01
    20   1    -0.01  -0.09   0.05    -0.11   0.07  -0.01     0.02  -0.02   0.01
    21   1    -0.10   0.10  -0.06    -0.09   0.10  -0.00     0.01  -0.01  -0.01
    22   1     0.00  -0.08   0.02     0.06  -0.11   0.09    -0.01   0.01  -0.01
    23   1     0.12  -0.12  -0.43    -0.12   0.16   0.53     0.05  -0.07  -0.25
    24   1    -0.02  -0.17  -0.44    -0.21   0.13   0.55    -0.01   0.01   0.02
    25   1    -0.22  -0.23   0.05    -0.13  -0.07   0.03     0.06   0.61  -0.00
    26   1     0.06   0.44  -0.13     0.02   0.27  -0.04    -0.07   0.08   0.31
    27   1    -0.20  -0.21  -0.05    -0.13  -0.17   0.00    -0.12  -0.52   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.1275              1158.8325              1174.2278
 Red. masses --      1.3470                 2.1981                 1.6773
 Frc consts  --      0.9414                 1.7392                 1.3626
 IR Inten    --      9.7608                 2.3320                10.9681
 RamAct Fr= 1--      8.9804                11.7901                73.5699
  Dep-P Fr= 1--      0.3173                 0.1662                 0.3556
  Dep-U Fr= 1--      0.4817                 0.2850                 0.5247
 Alpha2 Fr= 1--      0.0874                 0.1749                 0.6341
 Beta2  Fr= 1--      0.7210                 0.5600                 6.4335
 AlphaG Fr= 1--     -0.1262                 0.1249                 0.8807
 Gamma2 Fr= 1--      0.3318                -1.3745                 6.9137
 Delta2 Fr= 1--      1.1693                -0.5018                -0.1418
 Raman1 Fr= 1--      35.922                 47.160                294.280
 ROA1   Fr= 1--      69.272               -148.007                659.178
 CID1   Fr= 1--       1.928                 -3.138                  2.240
 Raman2 Fr= 1--       8.652                  6.720                 77.202
 ROA2   Fr= 1--      -1.390                -28.973                167.064
 CID2   Fr= 1--      -0.161                 -4.312                  2.164
 Raman3 Fr= 1--      17.304                 13.440                154.403
 ROA3   Fr= 1--      69.272               -148.007                659.178
 CID3   Fr= 1--       4.003                -11.013                  4.269
 RC180  Fr= 1--      -0.037                 -0.430                  0.049
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.02    -0.04  -0.01   0.00    -0.06  -0.01   0.05
     2   6     0.00   0.01  -0.02     0.06  -0.01   0.02     0.06   0.03  -0.12
     3   6     0.09   0.01   0.06     0.11   0.18  -0.10    -0.05   0.04   0.07
     4   6    -0.02  -0.05  -0.05    -0.11  -0.11  -0.02     0.01  -0.02  -0.03
     5   6    -0.03   0.02  -0.00    -0.03   0.05  -0.02    -0.01   0.01   0.01
     6   6    -0.01  -0.02   0.00     0.02   0.01   0.00     0.00   0.00   0.00
     7   8     0.01   0.00   0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.03  -0.01   0.05    -0.01   0.01  -0.01    -0.02  -0.00   0.06
     9   6    -0.04  -0.02  -0.03    -0.03  -0.04   0.01     0.06  -0.05   0.07
    10   6    -0.01  -0.02  -0.02     0.03  -0.07   0.10    -0.09  -0.01  -0.06
    11   6     0.02   0.01   0.00    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    12   1     0.02  -0.38  -0.05    -0.16   0.36   0.09     0.17   0.10  -0.07
    13   1    -0.09   0.35   0.08    -0.03  -0.12  -0.01    -0.22   0.18   0.02
    14   1     0.23   0.47   0.09     0.37   0.31  -0.15     0.44  -0.39  -0.14
    15   1     0.19   0.13  -0.08    -0.30  -0.42   0.18     0.02   0.25  -0.02
    16   1    -0.14  -0.16   0.13     0.14   0.13  -0.12     0.36  -0.02  -0.08
    17   1     0.02   0.05   0.20     0.02  -0.06  -0.12     0.03  -0.07  -0.18
    18   1    -0.07  -0.04   0.01     0.04   0.00  -0.09     0.13   0.06  -0.05
    19   1    -0.07  -0.08  -0.12     0.06   0.05   0.11     0.13   0.14   0.23
    20   1     0.13  -0.07  -0.00    -0.01   0.05  -0.03     0.17  -0.12   0.02
    21   1     0.12  -0.12  -0.00     0.00   0.00   0.01     0.08  -0.08  -0.07
    22   1    -0.09   0.18  -0.12     0.00   0.03  -0.00    -0.08   0.11  -0.09
    23   1    -0.27   0.02   0.10    -0.15  -0.08   0.06    -0.04   0.01   0.04
    24   1    -0.12   0.04   0.01     0.08   0.05   0.02    -0.05  -0.00  -0.07
    25   1    -0.03  -0.01   0.01     0.04   0.03  -0.01     0.00   0.01  -0.00
    26   1     0.01   0.07  -0.02    -0.01  -0.11   0.03    -0.00  -0.01   0.01
    27   1    -0.02  -0.01  -0.01     0.04   0.04   0.01     0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.6688              1225.7950              1245.4584
 Red. masses --      1.7957                 1.5060                 1.6503
 Frc consts  --      1.4898                 1.3333                 1.5083
 IR Inten    --      7.5401                 2.8311                13.5977
 RamAct Fr= 1--      1.7651                14.0950                16.0495
  Dep-P Fr= 1--      0.7431                 0.4823                 0.3099
  Dep-U Fr= 1--      0.8526                 0.6507                 0.4732
 Alpha2 Fr= 1--      0.0002                 0.0754                 0.1598
 Beta2  Fr= 1--      0.2508                 1.5287                 1.2657
 AlphaG Fr= 1--      0.0095                 0.0983                 0.1780
 Gamma2 Fr= 1--      0.3218                -1.8363                 1.0195
 Delta2 Fr= 1--      0.1533                -0.2177                -2.5399
 Raman1 Fr= 1--       7.060                 56.380                 64.198
 ROA1   Fr= 1--      35.804               -183.246                 16.592
 CID1   Fr= 1--       5.071                 -3.250                  0.258
 Raman2 Fr= 1--       3.010                 18.344                 15.189
 ROA2   Fr= 1--       6.498                -42.329                 44.787
 CID2   Fr= 1--       2.159                 -2.308                  2.949
 Raman3 Fr= 1--       6.020                 36.688                 30.377
 ROA3   Fr= 1--      35.804               -183.246                 16.592
 CID3   Fr= 1--       5.948                 -4.995                  0.546
 RC180  Fr= 1--       0.705                  0.301                 -0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.01  -0.01     0.03   0.04  -0.02     0.02  -0.07   0.00
     2   6     0.19  -0.01   0.01    -0.10  -0.09   0.04    -0.03   0.17   0.02
     3   6     0.01  -0.07  -0.05     0.03  -0.02  -0.04     0.01  -0.02  -0.05
     4   6     0.00   0.04   0.05     0.00   0.00   0.01     0.01  -0.00   0.01
     5   6     0.01  -0.02  -0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
     6   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   6    -0.09  -0.00   0.01     0.05   0.04  -0.01     0.00  -0.06  -0.02
     9   6    -0.01  -0.06  -0.03     0.09  -0.05   0.02    -0.01   0.06   0.05
    10   6    -0.04   0.04   0.05    -0.06   0.03  -0.01    -0.06  -0.06   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    12   1    -0.03  -0.06  -0.01     0.15   0.02  -0.04     0.20  -0.47  -0.10
    13   1    -0.04   0.25   0.07    -0.22   0.56   0.10    -0.03  -0.23  -0.06
    14   1    -0.57   0.24   0.16    -0.13   0.11   0.02    -0.04   0.24   0.01
    15   1     0.05  -0.03  -0.05    -0.35  -0.04   0.15    -0.11  -0.05   0.06
    16   1     0.16   0.21  -0.14     0.40   0.17  -0.18     0.52   0.11  -0.20
    17   1     0.08  -0.10  -0.13     0.03   0.04   0.20    -0.15   0.05  -0.15
    18   1     0.06  -0.02  -0.21    -0.11  -0.06   0.00     0.07   0.08   0.17
    19   1     0.11   0.05   0.21    -0.04  -0.11  -0.05    -0.05   0.11  -0.15
    20   1     0.09   0.14  -0.10    -0.09  -0.08   0.07    -0.03   0.07  -0.03
    21   1     0.14  -0.15   0.03    -0.15   0.16  -0.07     0.10  -0.10   0.16
    22   1    -0.08   0.31  -0.13    -0.01  -0.14   0.00     0.11  -0.03   0.11
    23   1     0.06  -0.01  -0.07    -0.02   0.00  -0.00    -0.04   0.00  -0.01
    24   1     0.03  -0.01   0.05    -0.04   0.00   0.00    -0.09   0.02  -0.02
    25   1     0.00  -0.01  -0.00    -0.01  -0.01   0.00    -0.02   0.00   0.01
    26   1     0.00  -0.01  -0.00     0.00   0.01  -0.00     0.01   0.06  -0.02
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1262.9106              1281.6533              1283.9519
 Red. masses --      1.7251                 2.0167                 1.9619
 Frc consts  --      1.6211                 1.9518                 1.9056
 IR Inten    --     51.4163                47.6954                58.3292
 RamAct Fr= 1--     16.6354                11.0824                14.1171
  Dep-P Fr= 1--      0.2908                 0.4743                 0.2193
  Dep-U Fr= 1--      0.4505                 0.6434                 0.3597
 Alpha2 Fr= 1--      0.1754                 0.0614                 0.1820
 Beta2  Fr= 1--      1.2491                 1.1885                 0.8464
 AlphaG Fr= 1--      0.0083                 0.0129                 0.0441
 Gamma2 Fr= 1--      4.2979                 0.9294                 1.1163
 Delta2 Fr= 1--      2.6210                -0.1554                 0.2337
 Raman1 Fr= 1--      66.542                 44.329                 56.469
 ROA1   Fr= 1--     496.468                 84.246                114.640
 CID1   Fr= 1--       7.461                  1.900                  2.030
 Raman2 Fr= 1--      14.989                 14.262                 10.157
 ROA2   Fr= 1--      82.181                 23.548                 24.922
 CID2   Fr= 1--       5.483                  1.651                  2.454
 Raman3 Fr= 1--      29.979                 28.523                 20.314
 ROA3   Fr= 1--     496.468                 84.246                114.640
 CID3   Fr= 1--      16.561                  2.954                  5.643
 RC180  Fr= 1--      -0.099                  0.287                 -0.281
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01   0.05   0.03     0.01   0.04   0.00
     2   6    -0.03   0.03   0.06     0.01  -0.14  -0.12    -0.03  -0.10  -0.02
     3   6    -0.02  -0.01  -0.01    -0.01  -0.00   0.01     0.03  -0.03   0.01
     4   6     0.02   0.01  -0.01    -0.02   0.01  -0.02    -0.01   0.02  -0.02
     5   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.08  -0.05  -0.00
     6   6    -0.12  -0.12   0.01    -0.12  -0.12   0.01     0.12   0.13  -0.01
     7   8     0.01   0.02  -0.00     0.03   0.01   0.00    -0.01  -0.02   0.00
     8   6     0.01  -0.01  -0.02    -0.00   0.05   0.04     0.01   0.03   0.01
     9   6     0.03  -0.05  -0.08    -0.01   0.11   0.05     0.01   0.09  -0.02
    10   6    -0.07  -0.03   0.09    -0.00  -0.01   0.00    -0.10  -0.05   0.08
    11   6     0.05   0.01   0.01     0.04   0.01   0.01    -0.05  -0.01  -0.01
    12   1    -0.23   0.39   0.13     0.16  -0.20  -0.09    -0.00  -0.06   0.01
    13   1     0.12   0.13   0.02     0.10  -0.42  -0.09     0.21  -0.31  -0.08
    14   1     0.19   0.01  -0.06    -0.08   0.23   0.06     0.13   0.19   0.01
    15   1     0.57   0.13  -0.27    -0.15  -0.03   0.09     0.50   0.17  -0.23
    16   1     0.15   0.17  -0.12     0.10   0.06  -0.07     0.34   0.20  -0.20
    17   1    -0.04   0.02  -0.01     0.12  -0.04   0.10     0.06  -0.00   0.10
    18   1    -0.02  -0.00   0.03    -0.02  -0.03  -0.07    -0.06  -0.04  -0.04
    19   1    -0.02   0.00  -0.06     0.05  -0.07   0.14    -0.00  -0.08   0.03
    20   1    -0.06   0.04  -0.01     0.09  -0.14   0.05    -0.01  -0.06   0.04
    21   1    -0.04   0.03   0.05    -0.01   0.02  -0.16    -0.05   0.06  -0.08
    22   1     0.05  -0.03   0.05    -0.13  -0.02  -0.12    -0.05  -0.05  -0.04
    23   1    -0.06   0.02   0.00     0.07   0.01   0.02     0.12   0.02   0.06
    24   1     0.20   0.03   0.05     0.51   0.00   0.10    -0.09  -0.05   0.00
    25   1    -0.06   0.07   0.03    -0.04   0.11   0.03     0.06  -0.10  -0.04
    26   1     0.02   0.25  -0.07     0.01   0.26  -0.07    -0.02  -0.26   0.07
    27   1    -0.03   0.04  -0.09    -0.01   0.07  -0.10     0.03  -0.06   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1290.2044              1315.3458              1341.1503
 Red. masses --      1.5099                 1.9302                 1.3610
 Frc consts  --      1.4809                 1.9676                 1.4423
 IR Inten    --      3.2233                 6.8101                 0.3055
 RamAct Fr= 1--     23.6510                21.8289                15.1830
  Dep-P Fr= 1--      0.1899                 0.2328                 0.2598
  Dep-U Fr= 1--      0.3191                 0.3777                 0.4125
 Alpha2 Fr= 1--      0.3299                 0.2714                 0.1750
 Beta2  Fr= 1--      1.2579                 1.3740                 1.0438
 AlphaG Fr= 1--      0.0309                 0.1639                -0.0925
 Gamma2 Fr= 1--     -0.4253                 6.9528                -1.4973
 Delta2 Fr= 1--      0.0053                 3.6838                -2.0159
 Raman1 Fr= 1--      94.604                 87.316                 60.732
 ROA1   Fr= 1--     -40.661                785.353               -208.248
 CID1   Fr= 1--      -0.430                  8.994                 -3.429
 Raman2 Fr= 1--      15.095                 16.488                 12.526
 ROA2   Fr= 1--     -10.250                137.397                -19.808
 CID2   Fr= 1--      -0.679                  8.333                 -1.581
 Raman3 Fr= 1--      30.190                 32.975                 25.052
 ROA3   Fr= 1--     -40.661                785.353               -208.248
 CID3   Fr= 1--      -1.347                 23.817                 -8.313
 RC180  Fr= 1--      -0.362                 -0.245                 -0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.02   0.04  -0.03     0.01  -0.01   0.01
     2   6    -0.00   0.05   0.06     0.10  -0.10   0.19    -0.03   0.02  -0.04
     3   6     0.09  -0.01   0.02    -0.03   0.07  -0.01     0.03  -0.05   0.01
     4   6    -0.09   0.06  -0.03    -0.00  -0.06   0.01    -0.03  -0.08   0.02
     5   6    -0.10  -0.02  -0.02     0.02   0.06  -0.01    -0.03   0.12  -0.04
     6   6     0.02   0.02  -0.00    -0.03  -0.03   0.00    -0.00  -0.01   0.00
     7   8     0.03  -0.03   0.01     0.00   0.01  -0.00     0.01   0.00   0.00
     8   6    -0.00  -0.02  -0.02    -0.02   0.02  -0.05     0.00   0.00   0.01
     9   6    -0.00  -0.02   0.01    -0.03   0.07  -0.02     0.01  -0.02   0.00
    10   6    -0.03   0.00  -0.04    -0.02  -0.02  -0.02     0.00   0.01  -0.00
    11   6    -0.02  -0.01  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
    12   1     0.03  -0.13  -0.02     0.12  -0.54  -0.09    -0.03   0.12   0.02
    13   1    -0.09   0.15   0.03     0.09   0.06   0.03    -0.03   0.01  -0.00
    14   1     0.03  -0.21   0.01     0.26  -0.45  -0.16    -0.09   0.09   0.07
    15   1     0.00   0.09  -0.02     0.02   0.08  -0.01     0.03   0.02  -0.02
    16   1     0.01  -0.09   0.05     0.07  -0.03  -0.02    -0.03  -0.00   0.02
    17   1    -0.04   0.02  -0.03     0.09  -0.05  -0.06    -0.02   0.02   0.02
    18   1    -0.00  -0.00   0.01    -0.09  -0.12  -0.22     0.01   0.02   0.06
    19   1    -0.03   0.01  -0.06    -0.06  -0.16  -0.03     0.02   0.02   0.01
    20   1    -0.03   0.05  -0.02    -0.11   0.15  -0.05     0.03  -0.05   0.01
    21   1     0.01  -0.01   0.07    -0.08   0.08   0.05     0.04  -0.03  -0.01
    22   1     0.05   0.01   0.05     0.03   0.08   0.01    -0.01  -0.04   0.01
    23   1     0.32   0.02   0.07     0.19  -0.08   0.07     0.83  -0.18   0.25
    24   1     0.81  -0.09   0.22    -0.21   0.08  -0.08    -0.28   0.15  -0.10
    25   1     0.05   0.02  -0.01    -0.01   0.04   0.01     0.03   0.06   0.01
    26   1    -0.02  -0.03   0.00     0.00   0.07  -0.02    -0.02   0.09  -0.03
    27   1     0.04   0.03   0.02     0.00   0.03  -0.03     0.04   0.05  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1379.0891              1388.7005              1406.1377
 Red. masses --      1.6398                 1.3624                 1.2864
 Frc consts  --      1.8375                 1.5480                 1.4986
 IR Inten    --      0.0813                45.4100                 9.4094
 RamAct Fr= 1--     30.7850                 1.2142                 1.5689
  Dep-P Fr= 1--      0.3390                 0.6279                 0.3011
  Dep-U Fr= 1--      0.5064                 0.7714                 0.4628
 Alpha2 Fr= 1--      0.2800                 0.0027                 0.0160
 Beta2  Fr= 1--      2.5982                 0.1561                 0.1210
 AlphaG Fr= 1--      0.1558                 0.0031                 0.0022
 Gamma2 Fr= 1--      2.6340                 0.3015                 0.2408
 Delta2 Fr= 1--     -0.1848                -0.1324                 0.1911
 Raman1 Fr= 1--     123.140                  4.857                  6.276
 ROA1   Fr= 1--     246.954                 24.707                 29.233
 CID1   Fr= 1--       2.005                  5.087                  4.658
 Raman2 Fr= 1--      31.178                  1.873                  1.452
 ROA2   Fr= 1--      64.696                  8.296                  4.251
 CID2   Fr= 1--       2.075                  4.429                  2.927
 Raman3 Fr= 1--      62.356                  3.746                  2.904
 ROA3   Fr= 1--     246.954                 24.707                 29.233
 CID3   Fr= 1--       3.960                  6.595                 10.065
 RC180  Fr= 1--       0.013                  0.543                 -0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.03   0.02   0.08
     2   6     0.03   0.01   0.04    -0.00   0.00   0.00    -0.02   0.01  -0.04
     3   6    -0.16  -0.13   0.01    -0.01  -0.00  -0.00     0.02   0.00   0.00
     4   6     0.04   0.05  -0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.02  -0.01   0.00    -0.01  -0.03   0.01     0.00   0.00  -0.00
     6   6     0.01   0.01   0.00     0.05   0.05  -0.00    -0.00  -0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.01  -0.01     0.00  -0.00   0.00     0.06  -0.09   0.05
     9   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.01
    10   6     0.05   0.04   0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.04  -0.15   0.03     0.00   0.00  -0.00
    12   1     0.04   0.01  -0.05    -0.00   0.00   0.00    -0.00   0.04   0.01
    13   1     0.08   0.10   0.06     0.01   0.00   0.00    -0.02  -0.03  -0.01
    14   1     0.66   0.50  -0.13     0.04   0.03  -0.01    -0.08  -0.00   0.03
    15   1    -0.23  -0.11   0.14    -0.00  -0.01   0.00     0.02  -0.02  -0.02
    16   1    -0.06   0.11  -0.05     0.00   0.01  -0.00     0.02  -0.03   0.03
    17   1     0.03  -0.03  -0.07     0.00  -0.00  -0.00    -0.04   0.03  -0.34
    18   1     0.02  -0.02  -0.07     0.01   0.00  -0.00    -0.02  -0.21  -0.27
    19   1    -0.04  -0.02  -0.03    -0.01  -0.00  -0.01    -0.23  -0.04  -0.26
    20   1    -0.02   0.06  -0.02    -0.01   0.01  -0.00    -0.18   0.39  -0.01
    21   1    -0.06   0.03   0.02    -0.01   0.01   0.00    -0.37   0.20  -0.19
    22   1     0.02   0.08  -0.01     0.00   0.01  -0.01    -0.10   0.31  -0.33
    23   1     0.22   0.05   0.08    -0.10   0.03  -0.03     0.01  -0.01   0.01
    24   1     0.13  -0.03   0.02    -0.06  -0.03  -0.01    -0.01   0.01  -0.00
    25   1     0.02  -0.05  -0.02     0.15   0.56   0.13    -0.00  -0.01  -0.00
    26   1    -0.00  -0.03   0.01    -0.09   0.45  -0.15     0.00  -0.00   0.00
    27   1     0.00  -0.03   0.05     0.26   0.44  -0.31    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3403              1471.3785              1480.0974
 Red. masses --      1.2290                 1.0563                 1.0474
 Frc consts  --      1.4669                 1.3473                 1.3518
 IR Inten    --      3.2445                10.1373                10.5731
 RamAct Fr= 1--      1.2348                 3.2756                 4.0480
  Dep-P Fr= 1--      0.7048                 0.7447                 0.7500
  Dep-U Fr= 1--      0.8268                 0.8537                 0.8571
 Alpha2 Fr= 1--      0.0010                 0.0003                 0.0000
 Beta2  Fr= 1--      0.1702                 0.4661                 0.5783
 AlphaG Fr= 1--      0.0060                 0.0027                -0.0004
 Gamma2 Fr= 1--      0.1421                 0.1150                -0.4303
 Delta2 Fr= 1--     -0.1155                 0.0278                -0.0097
 Raman1 Fr= 1--       4.939                 13.103                 16.192
 ROA1   Fr= 1--       9.942                 11.934                -41.619
 CID1   Fr= 1--       2.013                  0.911                 -2.570
 Raman2 Fr= 1--       2.042                  5.593                  6.939
 ROA2   Fr= 1--       4.333                  2.538                -10.250
 CID2   Fr= 1--       2.122                  0.454                 -1.477
 Raman3 Fr= 1--       4.084                 11.185                 13.879
 ROA3   Fr= 1--       9.942                 11.934                -41.619
 CID3   Fr= 1--       2.434                  1.067                 -2.999
 RC180  Fr= 1--       0.654                  0.707                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00  -0.02
     7   8     0.00  -0.00   0.00    -0.02   0.02  -0.01    -0.00   0.00   0.00
     8   6     0.04  -0.07   0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.05  -0.00  -0.01     0.01  -0.02  -0.05
    12   1     0.05  -0.02  -0.05    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    13   1     0.06  -0.02   0.02    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01
    14   1     0.03  -0.02  -0.01    -0.01  -0.01  -0.00    -0.01  -0.00   0.00
    15   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1    -0.02   0.02  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.01
    17   1    -0.01  -0.00   0.45    -0.00   0.00  -0.00     0.03  -0.03  -0.00
    18   1     0.03   0.26   0.35    -0.01  -0.00   0.01     0.02   0.02   0.01
    19   1     0.31   0.12   0.32     0.01  -0.01   0.01    -0.01  -0.02  -0.01
    20   1    -0.14   0.30  -0.02     0.00   0.01  -0.00    -0.02  -0.02   0.01
    21   1    -0.30   0.17  -0.09    -0.00  -0.00  -0.01    -0.01   0.01   0.03
    22   1    -0.04   0.27  -0.22    -0.00  -0.00  -0.00     0.00   0.02  -0.01
    23   1     0.01  -0.01   0.00    -0.04   0.00  -0.01     0.00  -0.00  -0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.00     0.53  -0.30  -0.18    -0.44  -0.20   0.01
    26   1     0.00  -0.01  -0.00    -0.08   0.41  -0.14    -0.17   0.20   0.68
    27   1    -0.01  -0.00  -0.01     0.36  -0.11   0.51     0.41   0.23   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.0382              1484.2953              1493.7846
 Red. masses --      1.0679                 1.0485                 1.0639
 Frc consts  --      1.3839                 1.3610                 1.3987
 IR Inten    --      0.6536                 0.1051                 5.6850
 RamAct Fr= 1--      3.5250                 7.8759                 4.1081
  Dep-P Fr= 1--      0.7466                 0.7264                 0.6662
  Dep-U Fr= 1--      0.8549                 0.8415                 0.7997
 Alpha2 Fr= 1--      0.0002                 0.0032                 0.0061
 Beta2  Fr= 1--      0.5023                 1.1046                 0.5475
 AlphaG Fr= 1--     -0.0001                -0.0015                 0.0233
 Gamma2 Fr= 1--      1.6718                -1.4308                -0.4152
 Delta2 Fr= 1--      0.1792                -0.3844                 0.7310
 Raman1 Fr= 1--      14.100                 31.504                 16.433
 ROA1   Fr= 1--     166.230               -149.653                -16.467
 CID1   Fr= 1--      11.789                 -4.750                 -1.002
 Raman2 Fr= 1--       6.027                 13.255                  6.570
 ROA2   Fr= 1--      38.690                -31.263                -15.813
 CID2   Fr= 1--       6.419                 -2.359                 -2.407
 Raman3 Fr= 1--      12.055                 26.511                 13.140
 ROA3   Fr= 1--     166.230               -149.653                -16.467
 CID3   Fr= 1--      13.790                 -5.645                 -1.253
 RC180  Fr= 1--       0.710                  0.683                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.01    -0.03  -0.00   0.01    -0.01   0.02   0.00
     2   6     0.00  -0.01   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.02
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01     0.03   0.01  -0.03    -0.01  -0.02  -0.03
     9   6    -0.05  -0.01   0.01     0.02   0.00  -0.00    -0.03  -0.01   0.01
    10   6    -0.02   0.03  -0.00     0.01  -0.02   0.00    -0.02   0.03  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.26   0.13  -0.31    -0.10  -0.05   0.11     0.17   0.12  -0.20
    13   1     0.37   0.08   0.20    -0.13  -0.03  -0.07     0.23   0.03   0.12
    14   1     0.00  -0.02  -0.00    -0.01  -0.00   0.01    -0.04   0.01   0.01
    15   1     0.04  -0.25  -0.15    -0.01   0.13   0.07     0.04  -0.27  -0.16
    16   1     0.16  -0.17   0.17    -0.08   0.08  -0.08     0.17  -0.18   0.18
    17   1    -0.08   0.05   0.20     0.27  -0.20   0.13     0.21  -0.14  -0.10
    18   1     0.19   0.00  -0.21     0.36   0.21  -0.11     0.02   0.10   0.13
    19   1    -0.02   0.33  -0.14    -0.15   0.05  -0.18    -0.07  -0.26   0.01
    20   1    -0.21   0.05   0.07    -0.38  -0.26   0.21     0.17  -0.25  -0.01
    21   1     0.17  -0.11  -0.05     0.04   0.04   0.42    -0.23   0.18   0.30
    22   1    -0.18  -0.22  -0.16    -0.11   0.11  -0.24     0.24   0.36   0.16
    23   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.01  -0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.02  -0.01  -0.00     0.04   0.01  -0.00     0.01   0.00  -0.00
    26   1    -0.01   0.01   0.03     0.01  -0.01  -0.05     0.00  -0.00  -0.01
    27   1     0.02   0.01   0.01    -0.03  -0.02   0.00    -0.01  -0.01   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.0986              1505.5056              1508.3929
 Red. masses --      1.0934                 1.0554                 1.0870
 Frc consts  --      1.4535                 1.4095                 1.4571
 IR Inten    --      4.3388                 8.1984                 5.8650
 RamAct Fr= 1--      9.5946                 2.7210                 1.1005
  Dep-P Fr= 1--      0.4750                 0.7401                 0.6431
  Dep-U Fr= 1--      0.6440                 0.8506                 0.7828
 Alpha2 Fr= 1--      0.0530                 0.0005                 0.0021
 Beta2  Fr= 1--      1.0299                 0.3858                 0.1436
 AlphaG Fr= 1--      0.0319                -0.0070                 0.0025
 Gamma2 Fr= 1--      0.1069                 0.7133                 0.1961
 Delta2 Fr= 1--     -1.2272                -0.7237                 0.2532
 Raman1 Fr= 1--      38.378                 10.884                  4.402
 ROA1   Fr= 1--     -29.007                 45.316                 26.931
 CID1   Fr= 1--      -0.756                  4.163                  6.118
 Raman2 Fr= 1--      12.358                  4.629                  1.723
 ROA2   Fr= 1--      12.383                 22.908                  2.682
 CID2   Fr= 1--       1.002                  4.949                  1.557
 Raman3 Fr= 1--      24.717                  9.258                  3.446
 ROA3   Fr= 1--     -29.007                 45.316                 26.931
 CID3   Fr= 1--      -1.174                  4.895                  7.816
 RC180  Fr= 1--       0.288                  0.701                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.00  -0.03   0.02     0.03   0.00   0.01
     2   6    -0.03   0.03   0.01    -0.02  -0.04  -0.00     0.01   0.01  -0.02
     3   6     0.02   0.01  -0.00     0.01   0.00  -0.00     0.01   0.01  -0.00
     4   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.02    -0.03  -0.01  -0.01     0.01   0.00  -0.02
     9   6    -0.04  -0.02   0.01     0.00   0.01   0.00    -0.04  -0.02   0.01
    10   6     0.01  -0.05  -0.00     0.01  -0.02   0.00     0.02  -0.05   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.19   0.11  -0.22     0.00  -0.01   0.00     0.20   0.12  -0.23
    13   1     0.24   0.07   0.15     0.00  -0.01  -0.00     0.27   0.04   0.16
    14   1    -0.04  -0.03   0.01    -0.02  -0.00   0.01    -0.04  -0.02   0.01
    15   1    -0.03   0.31   0.17    -0.01   0.15   0.08    -0.04   0.32   0.18
    16   1    -0.17   0.19  -0.22    -0.08   0.10  -0.10    -0.20   0.20  -0.22
    17   1     0.34  -0.25  -0.04    -0.14   0.10   0.28    -0.27   0.20  -0.14
    18   1     0.22   0.21   0.07     0.24  -0.04  -0.33    -0.29  -0.22   0.02
    19   1    -0.17  -0.23  -0.12    -0.03   0.48  -0.19     0.11   0.01   0.12
    20   1     0.15   0.20  -0.11     0.35  -0.08  -0.12    -0.17  -0.22   0.12
    21   1     0.03  -0.07  -0.29    -0.22   0.14   0.00     0.01   0.04   0.31
    22   1     0.01  -0.16   0.10     0.25   0.22   0.27    -0.02   0.13  -0.10
    23   1    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00  -0.01    -0.00   0.01   0.01    -0.00   0.00   0.00
    27   1    -0.00  -0.01   0.00     0.01   0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.7788              1737.0293              3013.2685
 Red. masses --      5.9809                 9.8783                 1.0772
 Frc consts  --     10.1334                17.5609                 5.7625
 IR Inten    --     65.0249               276.7699                 8.4563
 RamAct Fr= 1--    404.7337               230.4347                68.2982
  Dep-P Fr= 1--      0.2838                 0.3348                 0.4895
  Dep-U Fr= 1--      0.4422                 0.5017                 0.6573
 Alpha2 Fr= 1--      4.3545                 2.1238                 0.3539
 Beta2  Fr= 1--     29.8257                19.2663                 7.4817
 AlphaG Fr= 1--      1.2203                -0.0064                -0.6728
 Gamma2 Fr= 1--     12.4956                -2.6740                -2.2892
 Delta2 Fr= 1--      1.1254                 0.8725               -10.9312
 Raman1 Fr= 1--    1618.935                921.739                273.193
 ROA1   Fr= 1--    1235.589               -228.785               -569.558
 CID1   Fr= 1--       0.763                 -0.248                 -2.085
 Raman2 Fr= 1--     357.909                231.196                 89.780
 ROA2   Fr= 1--     290.891                -71.156                 32.510
 CID2   Fr= 1--       0.813                 -0.308                  0.362
 Raman3 Fr= 1--     715.818                462.391                179.560
 ROA3   Fr= 1--    1235.589               -228.785               -569.558
 CID3   Fr= 1--       1.726                 -0.495                 -3.172
 RC180  Fr= 1--      -0.116                  0.003                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.02   0.01  -0.07
     4   6     0.42  -0.18   0.15    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     5   6    -0.39   0.18  -0.14    -0.06   0.04  -0.03     0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.49  -0.45   0.24    -0.00   0.00  -0.00
     7   8     0.05  -0.03   0.02    -0.32   0.29  -0.16     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.01
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00     0.00   0.00   0.01
    11   6    -0.01   0.00  -0.00    -0.03   0.03  -0.02    -0.00   0.00  -0.00
    12   1     0.01   0.01  -0.01     0.01   0.00  -0.01    -0.01  -0.00  -0.01
    13   1     0.02   0.00   0.01     0.01   0.00   0.01    -0.01  -0.01   0.02
    14   1    -0.17  -0.03   0.01    -0.00   0.01   0.00     0.25  -0.13   0.89
    15   1    -0.02  -0.01   0.03    -0.01  -0.00   0.01    -0.04   0.02  -0.05
    16   1     0.00   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.03  -0.03
    17   1     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    18   1     0.02   0.01   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00   0.00    -0.01   0.00   0.01
    20   1     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.06  -0.06  -0.17
    21   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.12   0.16  -0.02
    22   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.14   0.04   0.10
    23   1    -0.52  -0.13  -0.09    -0.01  -0.01   0.00     0.00   0.04  -0.01
    24   1     0.43   0.16   0.05     0.30  -0.01   0.07    -0.00  -0.01   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.04     0.00  -0.00   0.01
    26   1    -0.01  -0.01   0.00     0.03  -0.28   0.09    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.13  -0.16     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3017.7771              3028.7763              3040.7290
 Red. masses --      1.0394                 1.0360                 1.0371
 Frc consts  --      5.5772                 5.5995                 5.6499
 IR Inten    --     35.8869                23.7258                 3.7612
 RamAct Fr= 1--    154.3150               207.4858               145.7740
  Dep-P Fr= 1--      0.0309                 0.0182                 0.0082
  Dep-U Fr= 1--      0.0599                 0.0357                 0.0163
 Alpha2 Fr= 1--      3.1895                 4.4187                 3.1778
 Beta2  Fr= 1--      1.5413                 1.2351                 0.3959
 AlphaG Fr= 1--     -1.0999                -0.2678                 0.7509
 Gamma2 Fr= 1--     -4.1821                 2.3902                 0.4717
 Delta2 Fr= 1--     -2.4741                 0.0936                -1.7213
 Raman1 Fr= 1--     617.260                829.943                583.096
 ROA1   Fr= 1--    -480.651                232.454                 -9.796
 CID1   Fr= 1--      -0.779                  0.280                 -0.017
 Raman2 Fr= 1--      18.495                 14.821                  4.751
 ROA2   Fr= 1--     -80.577                 56.615                 25.092
 CID2   Fr= 1--      -4.357                  3.820                  5.282
 Raman3 Fr= 1--      36.991                 29.641                  9.502
 ROA3   Fr= 1--    -480.651                232.454                 -9.796
 CID3   Fr= 1--     -12.994                  7.842                 -1.031
 RC180  Fr= 1--      -0.880                 -0.929                 -0.967
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.01  -0.00   0.02     0.00  -0.00   0.01     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.02
    12   1     0.03   0.00   0.03     0.05   0.00   0.05     0.00   0.00   0.00
    13   1     0.01   0.01  -0.03     0.02   0.02  -0.06     0.00   0.00  -0.00
    14   1    -0.08   0.04  -0.28    -0.02   0.01  -0.08    -0.00   0.00  -0.01
    15   1     0.01  -0.01   0.02    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    16   1    -0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
    17   1    -0.09  -0.12   0.01     0.34   0.48  -0.04     0.00   0.00  -0.00
    18   1    -0.06   0.08  -0.04     0.25  -0.34   0.19     0.00  -0.00   0.00
    19   1     0.12  -0.03  -0.09    -0.48   0.12   0.35    -0.00   0.00   0.00
    20   1    -0.15  -0.13  -0.41    -0.04  -0.03  -0.11    -0.00  -0.00  -0.00
    21   1     0.34   0.47  -0.06     0.08   0.11  -0.01     0.00   0.00  -0.00
    22   1    -0.43   0.12   0.31    -0.10   0.03   0.07    -0.00   0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.03  -0.01
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.12   0.63
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.38  -0.05  -0.08
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.36  -0.40  -0.36
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3052.1694              3070.4364              3074.1289
 Red. masses --      1.0578                 1.0595                 1.1008
 Frc consts  --      5.8062                 5.8849                 6.1294
 IR Inten    --     43.4519                20.6379                16.8992
 RamAct Fr= 1--    195.1692               125.2273                52.5706
  Dep-P Fr= 1--      0.0957                 0.0710                 0.6010
  Dep-U Fr= 1--      0.1747                 0.1325                 0.7508
 Alpha2 Fr= 1--      3.4531                 2.3526                 0.1450
 Beta2  Fr= 1--      5.6826                 2.7659                 6.5781
 AlphaG Fr= 1--     -0.2053                 0.2205                 0.1210
 Gamma2 Fr= 1--      2.9019                 5.9379                -0.5064
 Delta2 Fr= 1--     -3.8203                -4.8130                 2.2876
 Raman1 Fr= 1--     780.677                500.909                210.282
 ROA1   Fr= 1--     156.333                416.021                 24.586
 CID1   Fr= 1--       0.200                  0.831                  0.117
 Raman2 Fr= 1--      68.192                 33.190                 78.938
 ROA2   Fr= 1--     100.209                181.013                -30.455
 CID2   Fr= 1--       1.470                  5.454                 -0.386
 Raman3 Fr= 1--     136.383                 66.381                157.875
 ROA3   Fr= 1--     156.333                416.021                 24.586
 CID3   Fr= 1--       1.146                  6.267                  0.156
 RC180  Fr= 1--      -0.651                 -0.735                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02   0.01  -0.01
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.08  -0.03   0.03
     9   6     0.06   0.02  -0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00    -0.03   0.06  -0.01     0.00  -0.00   0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.51  -0.05  -0.54    -0.11  -0.01  -0.11    -0.00   0.00  -0.00
    13   1    -0.22  -0.19   0.57     0.01   0.01  -0.02     0.02   0.01  -0.04
    14   1    -0.01   0.01  -0.04     0.01  -0.00   0.02    -0.00  -0.00  -0.00
    15   1    -0.02   0.01  -0.03     0.39  -0.24   0.59    -0.02   0.01  -0.03
    16   1     0.01   0.09   0.09    -0.04  -0.44  -0.46     0.00   0.03   0.03
    17   1     0.03   0.05  -0.00     0.02   0.02  -0.00    -0.09  -0.14   0.01
    18   1     0.02  -0.03   0.01    -0.02   0.03  -0.02     0.01   0.00  -0.00
    19   1    -0.03   0.01   0.02    -0.05   0.01   0.04    -0.12   0.03   0.09
    20   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.02   0.02   0.11
    21   1     0.04   0.06  -0.01     0.02   0.03  -0.00     0.39   0.57  -0.06
    22   1    -0.03   0.01   0.02     0.02  -0.01  -0.02     0.52  -0.17  -0.38
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00    -0.00  -0.01   0.00
    24   1    -0.00  -0.00   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.1836              3085.5797              3096.5469
 Red. masses --      1.1016                 1.1016                 1.0994
 Frc consts  --      6.1778                 6.1792                 6.2110
 IR Inten    --     26.0360                38.9282                 6.2940
 RamAct Fr= 1--     53.7321                94.1429                35.3662
  Dep-P Fr= 1--      0.6957                 0.7276                 0.7308
  Dep-U Fr= 1--      0.8205                 0.8423                 0.8445
 Alpha2 Fr= 1--      0.0510                 0.0362                 0.0116
 Beta2  Fr= 1--      7.3483                13.2163                 4.9775
 AlphaG Fr= 1--     -0.0395                 0.0708                 0.1563
 Gamma2 Fr= 1--     12.0300                 7.3976                12.8245
 Delta2 Fr= 1--     12.9500                 1.4691                 9.0081
 Raman1 Fr= 1--     214.929                376.572                141.465
 ROA1   Fr= 1--    1569.280                757.183               1519.412
 CID1   Fr= 1--       7.301                  2.011                 10.741
 Raman2 Fr= 1--      88.179                158.595                 59.730
 ROA2   Fr= 1--     185.119                165.791                235.724
 CID2   Fr= 1--       2.099                  1.045                  3.946
 Raman3 Fr= 1--     176.359                317.190                119.461
 ROA3   Fr= 1--    1569.280                757.183               1519.412
 CID3   Fr= 1--       8.898                  2.387                 12.719
 RC180  Fr= 1--       0.641                  0.685                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.07  -0.03   0.03    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.05  -0.07    -0.02   0.00   0.03     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.02  -0.08
    12   1    -0.04  -0.00  -0.04     0.06   0.01   0.06    -0.05  -0.01  -0.05
    13   1     0.05   0.04  -0.11    -0.04  -0.03   0.09     0.03   0.02  -0.07
    14   1     0.01  -0.00   0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    16   1    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03     0.00   0.03   0.03
    17   1     0.09   0.14  -0.01     0.38   0.55  -0.03     0.00   0.01  -0.00
    18   1     0.03  -0.04   0.03    -0.02   0.00   0.00     0.01  -0.01   0.01
    19   1     0.15  -0.04  -0.11     0.50  -0.14  -0.38     0.02  -0.00  -0.01
    20   1     0.27   0.22   0.74    -0.07  -0.05  -0.17    -0.00  -0.00  -0.01
    21   1     0.18   0.25  -0.05     0.05   0.08  -0.00    -0.00  -0.00   0.00
    22   1    -0.30   0.08   0.20     0.21  -0.07  -0.15     0.01  -0.00  -0.00
    23   1    -0.00  -0.01   0.00    -0.00  -0.03   0.01     0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.14  -0.15   0.67
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.44   0.37
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.6706              3099.1354              3118.9788
 Red. masses --      1.1076                 1.1004                 1.1078
 Frc consts  --      6.2577                 6.2270                 6.3492
 IR Inten    --     20.6574                30.1254                40.0595
 RamAct Fr= 1--    106.1700                29.0902                74.6568
  Dep-P Fr= 1--      0.5917                 0.6364                 0.5972
  Dep-U Fr= 1--      0.7435                 0.7778                 0.7478
 Alpha2 Fr= 1--      0.3129                 0.0598                 0.2117
 Beta2  Fr= 1--     13.1555                 3.7711                 9.3045
 AlphaG Fr= 1--      0.1851                 0.0800                 0.6252
 Gamma2 Fr= 1--    -35.6975                11.7846                -3.1609
 Delta2 Fr= 1--     -4.6797                -0.4887                -4.9320
 Raman1 Fr= 1--     424.680                116.361                298.627
 ROA1   Fr= 1--   -3576.705               1115.678               -461.270
 CID1   Fr= 1--      -8.422                  9.588                 -1.545
 Raman2 Fr= 1--     157.866                 45.253                111.654
 ROA2   Fr= 1--    -819.301                286.739                -36.406
 CID2   Fr= 1--      -5.190                  6.336                 -0.326
 Raman3 Fr= 1--     315.731                 90.506                223.307
 ROA3   Fr= 1--   -3576.705               1115.678               -461.270
 CID3   Fr= 1--     -11.328                 12.327                 -2.066
 RC180  Fr= 1--       0.487                  0.556                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.04  -0.08   0.02    -0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.01   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00  -0.04
    10   6     0.01   0.02   0.03    -0.00  -0.01  -0.01    -0.03  -0.02  -0.08
    11   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.39   0.05   0.38    -0.02  -0.00  -0.02     0.21   0.02   0.21
    13   1    -0.26  -0.21   0.60     0.03   0.02  -0.07    -0.10  -0.08   0.22
    14   1    -0.01   0.00  -0.03     0.00  -0.00   0.01     0.02  -0.01   0.07
    15   1    -0.09   0.06  -0.13     0.02  -0.02   0.03     0.33  -0.22   0.49
    16   1    -0.02  -0.25  -0.24     0.01   0.12   0.12     0.02   0.47   0.45
    17   1    -0.01  -0.02   0.00     0.20   0.26  -0.02    -0.02  -0.03   0.00
    18   1    -0.06   0.08  -0.05    -0.46   0.63  -0.36     0.05  -0.07   0.04
    19   1    -0.10   0.03   0.08    -0.24   0.05   0.19     0.02  -0.00  -0.01
    20   1     0.05   0.03   0.12     0.01   0.01   0.03     0.01   0.01   0.04
    21   1     0.03   0.04  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    22   1    -0.05   0.01   0.03    -0.02   0.01   0.01    -0.01   0.00   0.01
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    24   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.01   0.04  -0.01
    25   1     0.02  -0.02   0.08     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.05   0.05   0.04     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3133.7000              3146.1009              3171.5175
 Red. masses --      1.0877                 1.1011                 1.0885
 Frc consts  --      6.2931                 6.4214                 6.4508
 IR Inten    --     10.7506                10.8375                 5.8683
 RamAct Fr= 1--     74.1650                83.7030                45.8570
  Dep-P Fr= 1--      0.1811                 0.5781                 0.1944
  Dep-U Fr= 1--      0.3067                 0.7327                 0.3255
 Alpha2 Fr= 1--      1.0584                 0.2701                 0.6321
 Beta2  Fr= 1--      3.7910                10.2211                 2.4874
 AlphaG Fr= 1--      0.4363                -0.1279                -0.5610
 Gamma2 Fr= 1--     -0.0409                -0.5431                -0.0713
 Delta2 Fr= 1--      0.8507                -2.6797                 1.9044
 Raman1 Fr= 1--     296.660                334.812                183.428
 ROA1   Fr= 1--      23.300               -137.883                 54.093
 CID1   Fr= 1--       0.079                 -0.412                  0.295
 Raman2 Fr= 1--      45.492                122.653                 29.848
 ROA2   Fr= 1--      -7.786                  8.404                -16.947
 CID2   Fr= 1--      -0.171                  0.069                 -0.568
 Raman3 Fr= 1--      90.984                245.307                 59.697
 ROA3   Fr= 1--      23.300               -137.883                 54.093
 CID3   Fr= 1--       0.256                 -0.562                  0.906
 RC180  Fr= 1--      -0.387                  0.465                 -0.349
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.01  -0.08   0.02     0.00   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.02
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.01  -0.02     0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.01   0.01  -0.04     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.03   0.02  -0.04
    16   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    17   1     0.02   0.03  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.01   0.02  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.17   0.94  -0.24    -0.01  -0.09   0.02     0.01   0.09  -0.02
    24   1    -0.01  -0.08   0.02     0.00   0.03  -0.01     0.14   0.95  -0.24
    25   1    -0.00  -0.00   0.00     0.04  -0.05   0.26    -0.00   0.00  -0.00
    26   1     0.09   0.02   0.02     0.89   0.14   0.18    -0.02  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.14  -0.17  -0.16    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   827.057553373.570223697.61844
           X            0.99990   0.01286  -0.00560
           Y           -0.01289   0.99990  -0.00527
           Z            0.00553   0.00534   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10473     0.02567     0.02342
 Rotational constants (GHZ):           2.18212     0.53496     0.48808
 Zero-point vibrational energy     622113.0 (Joules/Mol)
                                  148.68857 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     51.84   103.61   124.30   179.23   218.80
          (Kelvin)            238.99   311.31   346.18   364.48   386.30
                              408.77   512.19   538.54   643.96   679.24
                              752.52   820.89   857.87   908.55  1072.42
                             1134.81  1172.81  1247.87  1268.72  1319.16
                             1367.60  1377.91  1396.43  1441.12  1444.64
                             1465.04  1474.04  1511.61  1567.01  1667.30
                             1689.45  1707.35  1763.65  1791.94  1817.05
                             1844.01  1847.32  1856.32  1892.49  1929.62
                             1984.20  1998.03  2023.12  2047.87  2116.99
                             2129.53  2133.76  2135.57  2149.22  2161.18
                             2166.09  2170.24  2439.85  2499.20  4335.42
                             4341.91  4357.73  4374.93  4391.39  4417.67
                             4422.99  4438.89  4439.46  4455.24  4455.42
                             4458.96  4487.51  4508.70  4526.54  4563.11
 
 Zero-point correction=                           0.236950 (Hartree/Particle)
 Thermal correction to Energy=                    0.249428
 Thermal correction to Enthalpy=                  0.250372
 Thermal correction to Gibbs Free Energy=         0.198137
 Sum of electronic and zero-point Energies=           -465.874851
 Sum of electronic and thermal Energies=              -465.862373
 Sum of electronic and thermal Enthalpies=            -465.861429
 Sum of electronic and thermal Free Energies=         -465.913664
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.518             46.420            109.939
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.712
 Vibrational            154.741             40.458             38.258
 Vibration     1          0.594              1.982              5.466
 Vibration     2          0.598              1.967              4.098
 Vibration     3          0.601              1.959              3.740
 Vibration     4          0.610              1.928              3.028
 Vibration     5          0.619              1.900              2.646
 Vibration     6          0.624              1.884              2.479
 Vibration     7          0.645              1.816              1.989
 Vibration     8          0.658              1.778              1.798
 Vibration     9          0.664              1.757              1.707
 Vibration    10          0.673              1.731              1.606
 Vibration    11          0.683              1.703              1.509
 Vibration    12          0.731              1.563              1.140
 Vibration    13          0.745              1.525              1.062
 Vibration    14          0.807              1.366              0.803
 Vibration    15          0.829              1.312              0.732
 Vibration    16          0.878              1.199              0.603
 Vibration    17          0.927              1.095              0.503
 Vibration    18          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.730449D-91        -91.136410       -209.849339
 Total V=0       0.712975D+18         17.853075         41.108223
 Vib (Bot)       0.861463-105       -105.064763       -241.920558
 Vib (Bot)    1  0.574367D+01          0.759190          1.748099
 Vib (Bot)    2  0.286309D+01          0.456835          1.051902
 Vib (Bot)    3  0.238134D+01          0.376821          0.867663
 Vib (Bot)    4  0.163868D+01          0.214495          0.493893
 Vib (Bot)    5  0.133258D+01          0.124693          0.287116
 Vib (Bot)    6  0.121474D+01          0.084485          0.194534
 Vib (Bot)    7  0.915557D+00         -0.038315         -0.088223
 Vib (Bot)    8  0.814711D+00         -0.088996         -0.204921
 Vib (Bot)    9  0.769207D+00         -0.113957         -0.262395
 Vib (Bot)   10  0.720352D+00         -0.142455         -0.328015
 Vib (Bot)   11  0.675234D+00         -0.170546         -0.392696
 Vib (Bot)   12  0.516239D+00         -0.287149         -0.661185
 Vib (Bot)   13  0.484960D+00         -0.314294         -0.723688
 Vib (Bot)   14  0.383902D+00         -0.415779         -0.957367
 Vib (Bot)   15  0.356660D+00         -0.447745         -1.030972
 Vib (Bot)   16  0.307754D+00         -0.511796         -1.178453
 Vib (Bot)   17  0.269604D+00         -0.569274         -1.310801
 Vib (Bot)   18  0.251397D+00         -0.599640         -1.380721
 Vib (V=0)       0.840855D+04          3.924721          9.037005
 Vib (V=0)    1  0.626540D+01          0.796949          1.835042
 Vib (V=0)    2  0.340642D+01          0.532299          1.225663
 Vib (V=0)    3  0.293326D+01          0.467351          1.076116
 Vib (V=0)    4  0.221327D+01          0.345034          0.794469
 Vib (V=0)    5  0.192329D+01          0.284046          0.654039
 Vib (V=0)    6  0.181362D+01          0.258547          0.595326
 Vib (V=0)    7  0.154319D+01          0.188419          0.433851
 Vib (V=0)    8  0.145591D+01          0.163133          0.375628
 Vib (V=0)    9  0.141743D+01          0.151502          0.348846
 Vib (V=0)   10  0.137687D+01          0.138894          0.319815
 Vib (V=0)   11  0.134020D+01          0.127171          0.292821
 Vib (V=0)   12  0.121868D+01          0.085890          0.197769
 Vib (V=0)   13  0.119655D+01          0.077932          0.179445
 Vib (V=0)   14  0.113038D+01          0.053225          0.122555
 Vib (V=0)   15  0.111417D+01          0.046952          0.108111
 Vib (V=0)   16  0.108712D+01          0.036278          0.083534
 Vib (V=0)   17  0.106805D+01          0.028594          0.065839
 Vib (V=0)   18  0.105964D+01          0.025160          0.057932
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114979D+07          6.060619         13.955092
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005070   -0.000002792   -0.000001900
      2        6           0.000000477    0.000008275   -0.000012231
      3        6           0.000002361   -0.000001689    0.000007765
      4        6          -0.000000935    0.000002649    0.000002855
      5        6           0.000001046   -0.000004946   -0.000004627
      6        6          -0.000001547    0.000003038    0.000001242
      7        8          -0.000001311   -0.000000360    0.000005208
      8        6           0.000001029   -0.000001641    0.000004791
      9        6          -0.000008766   -0.000000465    0.000005282
     10        6           0.000005641   -0.000004578   -0.000002329
     11        6           0.000004866   -0.000006368   -0.000016457
     12        1          -0.000001472    0.000002830    0.000002842
     13        1           0.000001791    0.000001951    0.000003175
     14        1          -0.000001718   -0.000003327    0.000001251
     15        1          -0.000001260    0.000001603   -0.000001259
     16        1          -0.000001065   -0.000000265    0.000002730
     17        1           0.000001053    0.000000473   -0.000000476
     18        1           0.000000024    0.000003758   -0.000000882
     19        1           0.000002114    0.000002156    0.000000743
     20        1           0.000001628   -0.000001322    0.000001742
     21        1           0.000000523    0.000000298   -0.000000754
     22        1           0.000001204    0.000001068    0.000000263
     23        1           0.000001596   -0.000001148   -0.000001522
     24        1          -0.000000119    0.000001189   -0.000000490
     25        1          -0.000002879    0.000002462    0.000002264
     26        1          -0.000000250   -0.000001128   -0.000002431
     27        1           0.000001040   -0.000001724    0.000003204
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016457 RMS     0.000003694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167263D+03 -0.619137D+01  0.682530D+01
      2  -0.619137D+01  0.120858D+03 -0.316448D+01
      3   0.682530D+01 -0.316448D+01  0.102860D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.235534D+01 -0.184021D+01 -0.110196D+02
      2   0.425292D+02 -0.145196D+02 -0.355649D+02
      3  -0.929082D+00  0.197772D+02  0.126169D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.595384D+02 -0.178350D+02  0.362311D+02
      2  -0.134932D+02  0.190146D+02 -0.181828D+02
      3  -0.460452D+02 -0.117962D+01 -0.180483D+02
      4  -0.826296D-01 -0.346795D+02 -0.334489D+02
      5   0.316609D+02 -0.317473D+02 -0.870280D+02
      6  -0.101156D+02 -0.485983D+01  0.269304D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.320715D+01 -0.186796D+01 -0.386176D+01 -0.117034D+01 -0.382011D+01
      2  -0.186796D+01 -0.374188D+01  0.219444D+01 -0.382011D+01 -0.183953D+01
      3  -0.386176D+01  0.219444D+01  0.352333D+01  0.217555D+01 -0.187331D+01
                 6             7             8             9            10 
      1   0.217555D+01 -0.321357D+01  0.262557D+01  0.324424D+01 -0.206613D+02
      2  -0.187331D+01  0.262557D+01 -0.120340D+01  0.912061D+00  0.408873D+01
      3   0.154645D+01  0.324424D+01  0.912061D+00  0.116128D+01  0.304726D+01
                11            12            13            14            15 
      1   0.408873D+01  0.304726D+01  0.113774D+02  0.197106D+01 -0.258623D+01
      2   0.278054D+01 -0.222670D+01  0.197106D+01  0.436916D+01  0.146922D+01
      3  -0.222670D+01 -0.343276D+01 -0.258623D+01  0.146922D+01 -0.961694D+00
                16            17            18            19            20 
      1   0.128604D+02 -0.374761D+01 -0.515774D+01  0.340145D+02 -0.476462D+01
      2  -0.374761D+01  0.258877D+01 -0.457211D+00 -0.476462D+01  0.277632D+01
      3  -0.515774D+01 -0.457211D+00 -0.299141D+01  0.739575D+00  0.888570D+00
                21            22            23            24            25 
      1   0.739575D+00 -0.980704D+01  0.312821D+01  0.186851D+01 -0.449921D+01
      2   0.888570D+00  0.312821D+01  0.189260D+01 -0.178590D+01  0.217659D+01
      3   0.272183D+01  0.186851D+01 -0.178590D+01 -0.211047D+01  0.621333D+01
                26            27            28            29            30 
      1   0.217659D+01  0.621333D+01 -0.512122D+02  0.569436D+01 -0.468119D+01
      2  -0.270961D+01 -0.176074D+01  0.569436D+01 -0.244930D+01 -0.147625D+00
      3  -0.176074D+01  0.515332D+01 -0.468119D+01 -0.147625D+00 -0.254672D+01
                31            32            33            34            35 
      1   0.151433D+02 -0.481768D+01  0.102387D+01 -0.135900D+02  0.230699D+00
      2  -0.481768D+01 -0.163075D+01  0.112576D+01  0.230699D+00  0.103380D+01
      3   0.102387D+01  0.112576D+01  0.173301D+01 -0.693331D+01  0.118656D+01
                36            37            38            39            40 
      1  -0.693331D+01  0.504571D+02 -0.757080D+01  0.675827D+01 -0.116251D+02
      2   0.118656D+01 -0.757080D+01  0.112923D+01 -0.431984D+00  0.393139D+01
      3  -0.493984D+01  0.675827D+01 -0.431984D+00  0.261227D+01 -0.572732D+00
                41            42            43            44            45 
      1   0.393139D+01 -0.572732D+00  0.145846D+02 -0.114896D+01  0.583719D+01
      2   0.259956D+01 -0.161057D+01 -0.114896D+01 -0.182490D+01 -0.139798D+01
      3  -0.161057D+01 -0.200664D+01  0.583719D+01 -0.139798D+01  0.276268D+01
                46            47            48            49            50 
      1  -0.359567D+02  0.753237D+01 -0.715602D+01  0.813391D+01 -0.415534D+01
      2   0.753237D+01 -0.167474D+01  0.198760D+01 -0.415534D+01 -0.239665D+01
      3  -0.715602D+01  0.198760D+01 -0.734933D+00  0.285934D+01  0.739828D-01
                51            52            53            54            55 
      1   0.285934D+01 -0.961618D+01  0.291869D+01 -0.192123D+01  0.302187D+02
      2   0.739828D-01  0.291869D+01  0.415839D+00  0.937770D+00 -0.676899D+01
      3   0.974276D+00 -0.192123D+01  0.937770D+00 -0.790137D+00  0.534219D+01
                56            57            58            59            60 
      1  -0.676899D+01  0.534219D+01 -0.209136D+02  0.718890D+01 -0.389695D+01
      2   0.295436D+01 -0.131509D+01  0.718890D+01 -0.525749D+01  0.181517D+01
      3  -0.131509D+01  0.194117D+01 -0.389695D+01  0.181517D+01 -0.181343D+01
                61            62            63            64            65 
      1   0.106398D+02 -0.196215D+01  0.589096D+01  0.561798D+01 -0.252147D+01
      2  -0.196215D+01  0.916891D+00 -0.266629D+01 -0.252147D+01 -0.339450D+01
      3   0.589096D+01 -0.266629D+01  0.358174D+01 -0.222149D+01  0.275392D+01
                66            67            68            69            70 
      1  -0.222149D+01 -0.201990D+01 -0.263902D+01  0.292854D+01 -0.413252D+01
      2   0.275392D+01 -0.263902D+01 -0.315854D+01 -0.541302D+00  0.299217D+01
      3   0.279133D+01  0.292854D+01 -0.541302D+00  0.174025D+01  0.380129D+01
                71            72            73            74            75 
      1   0.299217D+01  0.380129D+01  0.244284D+01  0.203692D+01  0.151970D+01
      2  -0.112228D+01  0.767749D+00  0.203692D+01 -0.262095D+01 -0.864425D+00
      3   0.767749D+00  0.442626D+01  0.151970D+01 -0.864425D+00  0.290597D+01
                76            77            78            79            80 
      1   0.305566D+01 -0.301734D+01 -0.183345D+01 -0.533608D+00 -0.132636D+01
      2  -0.301734D+01 -0.570221D+01 -0.382594D+00 -0.132636D+01 -0.939940D+00
      3  -0.183345D+01 -0.382594D+00  0.137687D+01  0.497860D+01  0.210797D+01
                81            82            83            84            85 
      1   0.497860D+01  0.309388D+01 -0.247630D+01 -0.213249D+01 -0.343541D+01
      2   0.210797D+01 -0.247630D+01 -0.167087D+01  0.180494D+01 -0.228992D+01
      3  -0.127949D+01 -0.213249D+01  0.180494D+01 -0.791826D+00  0.147209D+01
                86            87            88            89            90 
      1  -0.228992D+01  0.147209D+01 -0.197831D+01  0.199777D+01 -0.120107D+01
      2   0.953312D+00  0.284744D+01  0.199777D+01  0.402187D+01  0.255951D+01
      3   0.284744D+01  0.201566D+01 -0.120107D+01  0.255951D+01 -0.470231D+00
                91            92            93            94            95 
      1  -0.844367D+01 -0.196130D+01 -0.209053D+01  0.578390D+00  0.380801D+01
      2  -0.196130D+01  0.339180D+01 -0.280250D-01  0.380801D+01  0.154111D+01
      3  -0.209053D+01 -0.280250D-01  0.177273D+01 -0.301602D-01 -0.128616D+01
                96            97            98            99           100 
      1  -0.301602D-01 -0.320607D+01 -0.219635D+00  0.614541D+00 -0.648335D+01
      2  -0.128616D+01 -0.219635D+00 -0.127163D+01 -0.258123D+01 -0.161005D+01
      3  -0.184460D+01  0.614541D+00 -0.258123D+01  0.381107D+01 -0.268890D+01
               101           102           103           104           105 
      1  -0.161005D+01 -0.268890D+01 -0.387239D+00 -0.849479D+00 -0.118948D+00
      2  -0.126169D+01 -0.477961D+00 -0.849479D+00 -0.205392D+00 -0.525879D+00
      3  -0.477961D+00 -0.222398D+01 -0.118948D+00 -0.525879D+00 -0.350223D+00
               106           107           108           109           110 
      1  -0.485822D+01 -0.781466D+00 -0.309002D+01 -0.302841D+01 -0.156488D+01
      2  -0.781466D+00 -0.138729D+01 -0.103626D+01 -0.156488D+01 -0.780954D+00
      3  -0.309002D+01 -0.103626D+01 -0.272602D+01  0.182827D+01  0.829920D+00
               111           112           113           114           115 
      1   0.182827D+01 -0.915089D+00 -0.128087D+01  0.994611D+00  0.455021D+01
      2   0.829920D+00 -0.128087D+01 -0.128838D+01  0.128766D+01  0.192949D+01
      3  -0.199060D+01  0.994611D+00  0.128766D+01 -0.127122D+01 -0.403944D+01
               116           117           118           119           120 
      1   0.192949D+01 -0.403944D+01 -0.502381D+01  0.102051D+01 -0.182668D+01
      2   0.233701D+01 -0.207013D+01  0.102051D+01 -0.542452D+00  0.329780D-01
      3  -0.207013D+01  0.516720D+01 -0.182668D+01  0.329780D-01 -0.178520D+01
               121           122           123           124           125 
      1   0.443365D+01 -0.115572D+01  0.151849D+00 -0.344264D+01 -0.567884D-01
      2  -0.115572D+01  0.216546D+00 -0.970136D+00 -0.567884D-01 -0.116824D+01
      3   0.151849D+00 -0.970136D+00  0.112510D+01 -0.331284D+01  0.977250D+00
               126           127           128           129           130 
      1  -0.331284D+01  0.217019D+01 -0.204790D+00  0.906587D+00 -0.339333D+00
      2   0.977250D+00 -0.204790D+00  0.154669D+01 -0.807578D+00  0.869306D+00
      3  -0.842420D+01  0.906587D+00 -0.807578D+00  0.126611D+01 -0.522921D+00
               131           132           133           134           135 
      1   0.869306D+00 -0.522921D+00  0.177753D+01 -0.689293D+00  0.872354D+00
      2  -0.225712D+01  0.825082D+00 -0.689293D+00  0.191829D+01 -0.170346D+01
      3   0.825082D+00 -0.116253D+01  0.872354D+00 -0.170346D+01  0.285285D+01
               136           137           138           139           140 
      1  -0.760653D+00 -0.933092D+00 -0.425500D+00 -0.319059D+00 -0.370235D+00
      2  -0.933092D+00 -0.124892D+00 -0.219129D+00 -0.370235D+00 -0.706369D+01
      3  -0.425500D+00 -0.219129D+00  0.800330D-02 -0.228664D+00 -0.333346D+01
               141           142           143           144           145 
      1  -0.228664D+00 -0.101137D+01 -0.462082D+00  0.928598D-01  0.237029D+01
      2  -0.333346D+01 -0.462082D+00 -0.483305D+01 -0.345208D+01  0.185758D+01
      3  -0.237096D+01  0.928598D-01 -0.345208D+01 -0.319816D+01  0.566925D+00
               146           147           148           149           150 
      1   0.185758D+01  0.566925D+00  0.184106D+01  0.233029D+01  0.213728D+00
      2   0.280862D+01  0.544916D+00  0.233029D+01  0.541635D+01  0.140443D+01
      3   0.544916D+00  0.784312D+00  0.213728D+00  0.140443D+01  0.148055D+01
               151           152           153           154           155 
      1  -0.304036D+00 -0.165117D-01  0.261569D+00  0.192627D+01 -0.843062D+00
      2  -0.165117D-01  0.992461D-01  0.559729D+00 -0.843062D+00  0.152542D+01
      3   0.261569D+00  0.559729D+00  0.280649D+00  0.121374D+01 -0.703294D+00
               156           157           158           159           160 
      1   0.121374D+01 -0.136862D+01  0.134931D+01 -0.848854D+00  0.969698D+00
      2  -0.703294D+00  0.134931D+01 -0.231247D+01  0.126601D+01 -0.696016D+00
      3   0.151410D+01 -0.848854D+00  0.126601D+01 -0.257708D+01  0.795091D+00
               161           162           163           164           165 
      1  -0.696016D+00  0.795091D+00 -0.534907D+01  0.159761D+01  0.369290D+01
      2   0.117416D+01 -0.118755D+01  0.159761D+01 -0.122296D+01 -0.148470D+01
      3  -0.118755D+01  0.247713D+01  0.369290D+01 -0.148470D+01 -0.433614D+01
               166           167           168           169           170 
      1   0.729433D+00 -0.681890D+00 -0.832737D+00  0.239030D+01 -0.102955D+01
      2  -0.681890D+00  0.118803D+01  0.124984D+01 -0.102955D+01  0.105736D+01
      3  -0.832737D+00  0.124984D+01  0.845225D+00 -0.306968D+01  0.123690D+01
               171           172           173           174           175 
      1  -0.306968D+01 -0.234448D+01  0.299446D+00 -0.160289D+01 -0.872424D+00
      2   0.123690D+01  0.299446D+00 -0.117086D+00 -0.177219D+00  0.656198D-01
      3   0.439731D+01 -0.160289D+01 -0.177219D+00 -0.217430D+01 -0.798085D+00
               176           177           178           179           180 
      1   0.656198D-01 -0.798085D+00 -0.243986D+01  0.183011D+00 -0.321115D+01
      2  -0.394135D+00 -0.713320D+00  0.183011D+00 -0.141721D+01  0.168600D+00
      3  -0.713320D+00 -0.140929D+01 -0.321115D+01  0.168600D+00 -0.689436D+01
               181           182           183           184           185 
      1   0.128456D+01  0.131325D+01  0.338014D-01  0.163610D+01  0.959660D+00
      2   0.131325D+01  0.374779D+01 -0.849046D+00  0.959660D+00  0.767384D+01
      3   0.338014D-01 -0.849046D+00  0.651840D+00 -0.273578D+00 -0.114841D+01
               186           187           188           189           190 
      1  -0.273578D+00  0.319149D+00 -0.458519D+00 -0.113807D+00 -0.785550D+01
      2  -0.114841D+01 -0.458519D+00 -0.560007D+00  0.100044D+01  0.336030D+01
      3   0.107324D+01 -0.113807D+00  0.100044D+01 -0.819990D+00  0.196248D+01
               191           192           193           194           195 
      1   0.336030D+01  0.196248D+01  0.167534D+01 -0.170468D+01 -0.799161D+00
      2  -0.204386D+01 -0.867797D+00 -0.170468D+01  0.204700D+01  0.605558D+00
      3  -0.867797D+00 -0.188552D+01 -0.799161D+00  0.605558D+00  0.359337D+00
               196           197           198           199           200 
      1   0.467295D+01 -0.212993D+01 -0.221483D+01 -0.442482D+00  0.138142D+01
      2  -0.212993D+01  0.197414D+01  0.843614D+00  0.138142D+01  0.783465D+00
      3  -0.221483D+01  0.843614D+00  0.153249D+01 -0.630256D+00 -0.105853D+00
               201           202           203           204           205 
      1  -0.630256D+00  0.192300D+01  0.100910D+01  0.459312D-01 -0.190587D+01
      2  -0.105853D+00  0.100910D+01  0.576172D+01 -0.171270D+01  0.398985D+00
      3  -0.104645D+00  0.459312D-01 -0.171270D+01  0.123250D+01  0.826130D+00
               206           207           208           209           210 
      1   0.398985D+00  0.826130D+00  0.198831D+00 -0.106840D+01  0.427415D+00
      2  -0.139811D+01  0.863458D+00 -0.106840D+01 -0.108540D+00 -0.552369D-01
      3   0.863458D+00 -0.463936D+00  0.427415D+00 -0.552369D-01  0.145955D+00
               211           212           213           214           215 
      1  -0.223188D+01 -0.372804D+00 -0.803456D-01  0.707261D+00 -0.107193D+00
      2  -0.372804D+00 -0.667209D+01  0.113018D+01 -0.107193D+00  0.155677D+01
      3  -0.803456D-01  0.113018D+01 -0.104257D+01 -0.328267D+00 -0.763731D+00
               216           217           218           219           220 
      1  -0.328267D+00  0.111280D+01  0.265965D+00 -0.518959D+00  0.116487D+01
      2  -0.763731D+00  0.265965D+00 -0.934854D+00  0.161226D+00  0.814944D-01
      3   0.373706D+00 -0.518959D+00  0.161226D+00 -0.646051D+00  0.258667D-02
               221           222           223           224           225 
      1   0.814944D-01  0.258667D-02 -0.197556D+01 -0.955229D+00  0.589050D+00
      2   0.139984D+01 -0.104622D+01 -0.955229D+00 -0.243062D+01  0.238696D+01
      3  -0.104622D+01  0.140236D+01  0.589050D+00  0.238696D+01 -0.671727D+01
               226           227           228           229           230 
      1   0.100647D+02  0.296702D+01  0.749948D+00  0.134668D+01  0.105779D+01
      2   0.296702D+01  0.193376D+01  0.203599D+00  0.105779D+01  0.740219D+00
      3   0.749948D+00  0.203599D+00  0.122775D+01  0.141456D+00  0.302368D+00
               231           232           233           234           235 
      1   0.141456D+00  0.163631D+01  0.521081D+00  0.111629D+01 -0.618198D+00
      2   0.302368D+00  0.521081D+00  0.612921D+00  0.640397D+00  0.740246D+00
      3   0.315248D+00  0.111629D+01  0.640397D+00  0.197865D+00  0.104760D+01
               236           237           238           239           240 
      1   0.740246D+00  0.104760D+01  0.236627D+01 -0.595059D+00 -0.455250D+00
      2  -0.268848D+01 -0.640451D+00 -0.595059D+00  0.437916D+01  0.152725D+01
      3  -0.640451D+00 -0.121403D+01 -0.455250D+00  0.152725D+01  0.170065D+01
               241           242           243 
      1   0.159882D+01 -0.186762D+00 -0.540109D+00
      2  -0.186762D+00  0.255924D+01  0.192769D+01
      3  -0.540109D+00  0.192769D+01  0.153950D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.103152D+01 -0.109001D+02  0.176053D+01 -0.112287D+02 -0.284474D+01
      2   0.714338D+01  0.664011D+00  0.463709D+01 -0.533132D+00  0.118141D+02
      3  -0.209487D+01 -0.106327D+02 -0.770181D+00 -0.638610D+01 -0.753657D+01
                 6             7             8             9            10 
      1  -0.834418D+01  0.196632D+01 -0.214165D+01  0.289249D+01 -0.792745D+01
      2  -0.718455D+01 -0.164092D+01 -0.588938D+01 -0.779780D+01 -0.248456D+02
      3  -0.235094D+00  0.139018D+01  0.159979D+00  0.437551D+01  0.394112D+01
                11            12            13            14            15 
      1   0.572313D+01  0.229768D+01  0.605081D+01 -0.711849D+00 -0.356826D+01
      2   0.799849D+01  0.119038D+02  0.154453D+02 -0.690326D+01  0.255102D+01
      3   0.654070D+01 -0.204615D+01  0.135519D+02  0.143278D+02  0.187935D+01
                16            17            18            19            20 
      1   0.396261D+01  0.559625D+01  0.100852D+01  0.107099D+02 -0.412005D+01
      2   0.143374D+02  0.135044D+01  0.432111D+01  0.255383D+02 -0.579090D+01
      3  -0.328143D+01  0.871256D+00 -0.403375D+01 -0.370102D+01 -0.429005D+01
                21            22            23            24            25 
      1  -0.250568D+01 -0.537958D+01 -0.522837D+01 -0.482068D+00 -0.652603D+01
      2   0.871711D+00 -0.124274D+02  0.522498D+01  0.398020D+01 -0.183709D+02
      3  -0.792127D+00  0.818424D+01 -0.152766D+01 -0.721421D+00 -0.219879D+01
                26            27            28            29            30 
      1   0.474869D+01  0.287527D+01 -0.111878D+02  0.158662D+01  0.112389D+01
      2   0.378895D+01  0.260849D+01 -0.295522D+02  0.296224D+01 -0.785516D+01
      3  -0.933417D+00 -0.160842D+01  0.463339D+01  0.274647D+01  0.221701D+01
                31            32            33            34            35 
      1   0.281278D+01  0.288534D+01 -0.184059D+01  0.470212D+01  0.294169D+01
      2   0.874818D+01 -0.323797D+01  0.181322D+01 -0.418580D+02  0.340741D+01
      3   0.184252D+02 -0.153778D+01  0.110802D+01  0.724688D+01  0.146396D+01
                36            37            38            39            40 
      1  -0.120597D+01  0.853453D+01 -0.145177D+01 -0.221752D+01 -0.759350D+01
      2  -0.104440D+02  0.375668D+02 -0.404514D+01  0.126817D+02 -0.695357D+01
      3   0.622072D+00  0.345907D+01 -0.628018D+01 -0.156679D+01  0.927573D+01
                41            42            43            44            45 
      1   0.513946D+00 -0.220377D+01 -0.522779D+01  0.110034D+01 -0.596284D+00
      2  -0.992016D+00  0.204649D+00  0.128943D+02 -0.930216D+00  0.725489D+01
      3  -0.120151D+02  0.485094D+01 -0.445422D+01  0.321105D+01  0.382513D+00
                46            47            48            49            50 
      1  -0.732905D+01 -0.156666D+01  0.763621D+01 -0.141101D+01  0.665187D+01
      2  -0.214877D+02  0.436271D+01 -0.168522D+02  0.322353D+01 -0.113845D+01
      3  -0.102108D+02  0.900730D+01  0.205434D+01  0.195323D+02  0.650399D+01
                51            52            53            54            55 
      1   0.425025D+01  0.427047D+01  0.148283D+02 -0.328575D+01  0.403559D+01
      2   0.270985D+01 -0.268249D+02 -0.724771D+00 -0.808503D+01  0.170931D+02
      3   0.207104D+01  0.818559D+00  0.413659D+01 -0.187457D+01  0.549012D+01
                56            57            58            59            60 
      1   0.164262D+01 -0.118708D+01 -0.161391D+01 -0.246122D+01 -0.495899D+01
      2  -0.399655D+01  0.175517D+02 -0.114960D+02  0.592677D+01 -0.111716D+02
      3  -0.172484D+02  0.458538D+00 -0.829331D+01  0.172585D+02 -0.357357D+01
                61            62            63            64            65 
      1   0.164323D+01 -0.676444D+00  0.210003D+01  0.587354D+01 -0.396771D+01
      2   0.151942D+02 -0.572055D+01  0.137203D+02  0.991267D+01 -0.106941D+02
      3   0.629436D-01 -0.672515D+01  0.523659D+01  0.681816D+00 -0.193042D+02
                66            67            68            69            70 
      1  -0.763098D+01 -0.387106D+01  0.379838D+01 -0.394175D+01 -0.109288D+02
      2  -0.860584D+01 -0.959414D+01  0.286326D+00 -0.306258D+01 -0.165419D+02
      3   0.557868D+01 -0.845379D+01 -0.183572D+02  0.370948D+01  0.425391D+01
                71            72            73            74            75 
      1   0.203531D+01 -0.924339D+01  0.401280D+01 -0.357071D+01  0.365537D+01
      2   0.364419D+00 -0.117374D+02 -0.235502D+01  0.199251D+01 -0.905594D+01
      3   0.358467D+01  0.916359D+01  0.826117D+01 -0.171665D+02 -0.773504D+01
                76            77            78            79            80 
      1  -0.265646D+01 -0.307012D+01  0.213989D+00  0.704682D+01  0.571013D+01
      2   0.528069D+01  0.201619D+01 -0.521954D+01 -0.225744D+02 -0.815452D+01
      3  -0.980529D+01 -0.150009D+02  0.244318D+00 -0.813532D+01  0.990833D+00
                81            82            83            84            85 
      1  -0.153141D+01 -0.398425D+01  0.669659D+01 -0.256498D+01  0.893652D+01
      2   0.523032D+01  0.412531D+01 -0.324046D+01  0.242418D+01 -0.551453D+01
      3   0.168800D+01 -0.110383D+02  0.753712D+00  0.848665D+01  0.866478D+01
                86            87            88            89            90 
      1   0.953297D+01  0.131286D+01 -0.182755D+01  0.878322D+01 -0.138846D+01
      2  -0.401316D+01 -0.103655D+01 -0.135617D+01 -0.404069D+00  0.355107D+00
      3   0.529369D+01 -0.135693D+01  0.106913D+02 -0.923181D+00  0.655458D+01
                91            92            93            94            95 
      1   0.305068D+01 -0.270054D+01 -0.563525D+01  0.450416D-01  0.254414D+01
      2  -0.945487D+01 -0.209893D+00  0.841926D+01  0.635116D+00 -0.337566D+01
      3  -0.124958D+01 -0.196076D+02 -0.358089D+01 -0.101445D+02 -0.326875D+00
                96            97            98            99           100 
      1  -0.413461D+00  0.300719D+01  0.106083D+02 -0.698707D+01 -0.339579D+01
      2  -0.471561D+01 -0.197546D+01 -0.997791D+01  0.137180D+02  0.800967D+01
      3   0.511870D+01 -0.290010D+01  0.639405D+01  0.125220D+02  0.379195D+01
               101           102           103           104           105 
      1   0.485299D+00 -0.334504D+01 -0.145261D+00 -0.530141D+00 -0.137860D+01
      2   0.114237D+01  0.943981D+01  0.692481D+00  0.139649D+01  0.134150D+01
      3  -0.399589D+01  0.201524D+01  0.559782D-01  0.848021D+00 -0.145052D+01
               106           107           108           109           110 
      1  -0.369113D+01  0.531950D+00 -0.385882D+01  0.207811D+01  0.335659D-01
      2   0.726719D+01  0.277145D+01  0.933914D+01 -0.344716D+01 -0.242905D+01
      3   0.366666D+01 -0.503395D+01  0.676036D+00  0.269985D+00 -0.229481D+01
               111           112           113           114           115 
      1  -0.289968D+01  0.173085D+01  0.943090D+00 -0.252080D+01 -0.441939D+01
      2   0.761706D+01 -0.186588D+01 -0.420334D+01  0.443538D+01  0.971644D+01
      3   0.442276D+00 -0.102098D+00 -0.268846D+01  0.248591D+01  0.392995D+00
               116           117           118           119           120 
      1   0.996606D+00  0.724543D+01 -0.147267D+01  0.144908D+01 -0.330394D+00
      2   0.613594D+01 -0.170103D+02 -0.337884D+01  0.122547D+01  0.130785D+01
      3   0.686241D+01 -0.163579D+01  0.845345D+00 -0.187017D+01  0.632863D+00
               121           122           123           124           125 
      1   0.241284D+01 -0.123765D+00  0.475315D+00  0.172935D+01  0.406147D+01
      2   0.500102D+01 -0.709946D+00 -0.783251D+00 -0.346221D+01 -0.886395D+00
      3   0.129686D+01 -0.157817D+00 -0.597144D+00  0.925812D+00 -0.163222D+01
               126           127           128           129           130 
      1  -0.272446D+01  0.261297D+01 -0.197362D+01  0.398848D+01 -0.163428D+01
      2   0.467708D+01 -0.251578D+01  0.832058D+00 -0.394311D+00  0.101196D+01
      3   0.113509D+01 -0.858771D+01  0.143883D+01 -0.423752D+01  0.343825D+01
               131           132           133           134           135 
      1   0.182898D+01 -0.389534D+01  0.266652D+01 -0.233426D+01  0.849229D+01
      2  -0.111662D+01  0.952343D+00 -0.317361D+01  0.199395D+01 -0.269652D+01
      3  -0.537568D+01  0.282204D+01 -0.730453D+01  0.443921D+01 -0.598883D+01
               136           137           138           139           140 
      1  -0.262687D+00 -0.676331D+00  0.252879D+00  0.235682D+00 -0.343279D+01
      2  -0.193740D-01 -0.355701D-01  0.530428D+00 -0.821383D+00  0.321551D+01
      3  -0.102265D+01  0.630296D+00  0.301542D+00  0.444512D+01 -0.102379D+02
               141           142           143           144           145 
      1  -0.655500D+01  0.568621D+00 -0.378061D+01 -0.687794D+01  0.393884D+01
      2   0.245394D+01 -0.227867D+01  0.348267D+01  0.354748D+01 -0.756190D+01
      3  -0.452883D+01  0.259891D+01 -0.596793D+01 -0.563339D+01  0.833927D+01
               146           147           148           149           150 
      1   0.569526D+01 -0.133622D+01  0.493047D+01  0.899142D+01 -0.172631D+01
      2  -0.509885D+01 -0.124027D+01 -0.597758D+01 -0.809514D+01 -0.169817D+01
      3   0.550493D+01  0.125381D+01  0.890386D+01  0.104777D+02  0.269638D+01
               151           152           153           154           155 
      1  -0.928458D+00  0.100433D+01  0.121740D+01 -0.383120D+01  0.555940D+01
      2  -0.147667D+01 -0.789795D+00 -0.854201D+00 -0.858383D+01  0.374531D+01
      3  -0.111123D+01 -0.144729D+00  0.141122D+01 -0.520678D+00  0.438666D+00
               156           157           158           159           160 
      1  -0.210360D+01  0.459529D+01 -0.814275D+01  0.247822D+01 -0.215946D+01
      2  -0.351741D+01  0.598812D+01 -0.578818D+01  0.533857D+01 -0.482966D+01
      3   0.433294D-01  0.267903D+01 -0.119647D+01  0.102924D+01 -0.521714D+00
               161           162           163           164           165 
      1   0.475658D+01 -0.385179D+01 -0.922664D+00 -0.196085D+01  0.220748D+01
      2   0.359034D+01 -0.517942D+01  0.355019D+01  0.342902D+00  0.401259D+01
      3   0.270648D+00 -0.114520D+01 -0.208169D+01 -0.273100D+01  0.299147D+00
               166           167           168           169           170 
      1  -0.157075D+00  0.115248D+01  0.112336D+00  0.102196D+01  0.268857D+01
      2  -0.118327D+01 -0.154072D+01  0.308625D-03 -0.321169D+01  0.112412D-01
      3   0.586526D+00  0.198305D+01  0.131159D+01  0.174904D+01  0.175040D+01
               171           172           173           174           175 
      1  -0.266717D+01  0.259332D+01  0.116970D+01  0.424696D+01  0.771608D+00
      2  -0.310607D+01  0.279824D+01  0.622148D+00  0.674314D+01  0.100249D+01
      3  -0.747511D+00 -0.243991D+01 -0.936157D+00 -0.319509D+01  0.166717D+00
               176           177           178           179           180 
      1   0.234361D+01  0.185713D+01  0.509931D+01  0.421069D+01  0.118350D+02
      2   0.226269D+01  0.397567D+01  0.501150D+01  0.927094D-01  0.193201D+02
      3  -0.162561D+01 -0.310694D+01 -0.349477D+01 -0.549254D+01 -0.476132D+01
               181           182           183           184           185 
      1  -0.974519D+00 -0.523236D+00 -0.189285D+01 -0.386083D+00 -0.255697D+01
      2   0.131465D+01  0.308916D+01 -0.622454D+00  0.230646D+01  0.416815D+01
      3   0.924109D+01  0.131997D+02 -0.239702D+01  0.950848D+01  0.259199D+02
               186           187           188           189           190 
      1  -0.392525D+01  0.302966D+00 -0.271908D-01  0.127585D+01 -0.557387D+01
      2  -0.260771D+01 -0.564104D+00 -0.292103D+01  0.206271D+01 -0.957896D+01
      3  -0.425162D+01 -0.152630D+01 -0.301315D+01  0.284587D+01 -0.382000D+01
               191           192           193           194           195 
      1   0.226016D+01  0.498243D+01  0.252513D+01 -0.198281D+01 -0.210521D+01
      2   0.457036D+01  0.983105D+01  0.380494D+01 -0.300306D+01 -0.228293D+01
      3  -0.342687D+01  0.738225D+00  0.700258D-01  0.426816D+01  0.344189D+00
               196           197           198           199           200 
      1   0.463199D+01 -0.813710D+00 -0.362806D+01  0.309088D+00 -0.119715D+01
      2   0.778444D+01 -0.324309D+01 -0.716238D+01 -0.420300D+00  0.124926D+01
      3   0.840448D+00  0.377048D+01 -0.116855D+01  0.155299D+00 -0.987663D-01
               201           202           203           204           205 
      1  -0.563119D+00 -0.220212D+01 -0.533055D+01 -0.187224D+01 -0.567897D+01
      2  -0.368814D+00  0.236535D+01  0.939502D+00  0.716495D+00 -0.282195D+01
      3   0.864754D-01  0.331504D+01 -0.274755D+01  0.228104D+00 -0.145502D+01
               206           207           208           209           210 
      1   0.218539D+01 -0.864751D+00  0.103515D+01  0.158161D-01 -0.193586D+00
      2   0.148495D+00  0.563732D+00  0.215110D+01 -0.337777D+00  0.415211D+00
      3   0.654097D+00 -0.858120D+00  0.360394D+01  0.576354D+00 -0.267266D+00
               211           212           213           214           215 
      1  -0.314460D+00  0.769335D+00 -0.364809D+01 -0.199156D+01  0.363516D+00
      2  -0.308141D+00  0.324296D+01 -0.213269D+01 -0.401594D+01 -0.186735D+01
      3   0.602667D+01  0.138531D+02 -0.261097D+01 -0.212867D+01 -0.316481D+01
               216           217           218           219           220 
      1   0.473697D+00 -0.797775D-01 -0.380840D+00  0.160959D+01 -0.102269D+01
      2   0.495795D+00 -0.144709D+01  0.814591D+00 -0.211633D+01  0.156621D+01
      3   0.167363D+01 -0.874395D+00  0.291395D+01 -0.183029D+01  0.113232D+01
               221           222           223           224           225 
      1   0.114704D+01 -0.285494D+01 -0.161192D+01 -0.292061D+01  0.120715D+02
      2  -0.340870D+01  0.461321D+01  0.237066D-01  0.833351D+01 -0.230891D+02
      3  -0.516416D+01  0.345426D+01 -0.352896D+00  0.680466D+01 -0.880937D+01
               226           227           228           229           230 
      1  -0.214699D+01 -0.566287D+00 -0.238845D+01 -0.605478D+00 -0.599553D+00
      2   0.542042D+01  0.159235D+01  0.688666D+01  0.111404D+01  0.138150D+01
      3   0.392479D+01 -0.555355D+01  0.591181D+00  0.629331D+00 -0.952687D+00
               231           232           233           234           235 
      1  -0.139704D+01 -0.112086D+01 -0.385242D-01 -0.413344D+00 -0.727338D+00
      2   0.155420D+01  0.307277D+01  0.197323D+01  0.122232D+01  0.343835D+01
      3  -0.923164D+00  0.458536D+00 -0.202910D+01 -0.115814D+01 -0.590054D+01
               236           237           238           239           240 
      1   0.323863D+01  0.303293D+01  0.176102D+01 -0.450588D+01 -0.450141D+01
      2  -0.290876D+01 -0.321140D+01 -0.151087D+01  0.565102D+01  0.525461D+01
      3   0.112486D+02  0.480103D+01  0.693978D+01 -0.173829D+02 -0.658458D+01
               241           242           243 
      1   0.396223D+00 -0.398122D+01 -0.394477D+01
      2  -0.196776D+01  0.716168D+01  0.531288D+01
      3   0.376881D+01 -0.103041D+02 -0.886377D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.588708D+01  0.670534D+01  0.805055D+01  0.393063D+01  0.190475D+02
      2   0.538466D+01 -0.194686D+02 -0.118906D+02 -0.156262D+02 -0.108984D+02
      3  -0.112717D+02  0.127632D+02  0.384003D+01  0.116956D+02 -0.814914D+01
      4   0.805419D+01  0.652940D+01 -0.129567D+02  0.852020D+01 -0.293002D+01
      5   0.217426D+02 -0.130572D+02 -0.255306D+02 -0.131064D+02 -0.263503D+01
      6  -0.854590D+01 -0.706713D+01  0.120207D+02 -0.755803D+01 -0.631389D+01
                 6             7             8             9            10 
      1  -0.936796D+01  0.390572D+01 -0.118105D+02 -0.189145D+02 -0.323633D+01
      2  -0.391220D+00 -0.866244D+01  0.132102D+01  0.870092D+01 -0.588581D+00
      3   0.975918D+01  0.475672D+01  0.104894D+02  0.102135D+02  0.382491D+01
      4   0.760626D+01 -0.149555D+02  0.724512D+01  0.384912D+01 -0.141208D+02
      5   0.108026D+01 -0.246672D+02  0.567892D+01  0.715939D+01 -0.119414D+02
      6  -0.330515D+01  0.116636D+02 -0.300845D+01  0.654807D+01  0.833700D+01
                11            12            13            14            15 
      1  -0.916109D+01 -0.123301D+01 -0.704073D+00 -0.267463D+02  0.893753D+01
      2   0.126207D+02  0.126485D+01  0.258447D+01  0.122132D+02 -0.153773D+01
      3  -0.345966D+01 -0.318331D-01 -0.188040D+01  0.145331D+02 -0.739980D+01
      4  -0.141786D+02  0.122138D+02 -0.205288D+02 -0.175193D+02 -0.765648D+01
      5   0.117328D+02  0.150817D+02  0.139761D+02 -0.308070D+01  0.635962D+01
      6  -0.815977D+01 -0.214859D+01 -0.291509D+01  0.111597D+02 -0.138672D+01
                16            17            18            19            20 
      1  -0.176171D+01  0.144509D+02  0.159858D+02  0.351896D+02  0.795037D+01
      2  -0.560700D+01 -0.404216D+01 -0.108207D+02 -0.164247D+02 -0.997563D+01
      3   0.736872D+01 -0.104087D+02 -0.516510D+01 -0.187649D+02  0.202526D+01
      4   0.174976D+02 -0.147547D+02  0.187897D+01  0.102347D+02 -0.717190D+01
      5   0.224662D+02  0.184439D+01  0.993549D+01 -0.639232D+01 -0.208680D+01
      6  -0.307643D+01 -0.114236D+01 -0.852925D+01 -0.758765D+01 -0.687151D+00
                21            22            23            24            25 
      1   0.421738D+01  0.259601D+01  0.283409D+01 -0.307147D+01  0.189248D+02
      2   0.206825D+01 -0.414161D+01 -0.660554D+01  0.953564D+00  0.743539D+01
      3  -0.628563D+01  0.154560D+01  0.377146D+01  0.211790D+01 -0.263602D+02
      4  -0.431605D+01 -0.585621D+01 -0.246029D+01  0.441014D+01 -0.115820D+02
      5  -0.702208D+01 -0.542634D+01  0.111723D+01  0.438840D+01 -0.165704D+02
      6   0.399672D+00 -0.174410D+01 -0.399398D+01  0.268449D+01 -0.173369D+01
                26            27            28            29            30 
      1  -0.858171D+01  0.110694D+02 -0.113417D+03  0.105131D+02 -0.122573D+02
      2   0.490047D+01  0.131534D+02  0.470925D+02 -0.593445D+01  0.469227D+01
      3   0.368124D+01 -0.242228D+02  0.663245D+02 -0.457869D+01  0.756507D+01
      4   0.101519D+02  0.163582D+01  0.179625D+02 -0.101745D+02  0.966501D+00
      5   0.479868D+01 -0.152528D+02 -0.152551D+01 -0.116579D+01 -0.100529D+02
      6   0.391639D+01  0.131216D+01  0.782834D+01  0.265215D+01  0.192036D+01
                31            32            33            34            35 
      1   0.468302D+02 -0.744229D+01  0.208209D+01 -0.401087D+02 -0.133809D+01
      2  -0.222971D+02  0.291748D+01  0.667845D+00  0.118936D+02  0.318413D+01
      3  -0.245331D+02  0.452481D+01 -0.274993D+01  0.282151D+02 -0.184605D+01
      4  -0.154141D+02 -0.211298D+01  0.723516D+00  0.711631D+01 -0.391187D+01
      5   0.693362D+01  0.192020D+01  0.251270D+01 -0.715542D+01  0.351059D+00
      6   0.138908D+01  0.845053D+01 -0.989180D+00  0.378176D+00  0.366703D+01
                36            37            38            39            40 
      1  -0.299965D+02  0.160977D+03 -0.256949D+02  0.290975D+02 -0.227996D+02
      2   0.716407D-01 -0.697062D+02  0.114467D+02 -0.101409D+02  0.717127D+01
      3   0.299249D+02 -0.912709D+02  0.142482D+02 -0.189566D+02  0.156284D+02
      4   0.460074D+01 -0.477430D+02  0.146275D+02 -0.536435D+01  0.174927D+02
      5  -0.131021D+02  0.217596D+02 -0.160633D+01  0.194172D+02  0.285361D+01
      6   0.360584D+01 -0.914554D+01 -0.161184D+01 -0.269439D+01 -0.120313D+01
                41            42            43            44            45 
      1   0.129926D+02 -0.807704D+01  0.390092D+02 -0.934824D+01  0.784100D+01
      2  -0.111356D+02  0.264314D+01 -0.174976D+02  0.754053D+01 -0.739529D+01
      3  -0.185699D+01  0.543389D+01 -0.215116D+02  0.180771D+01 -0.445715D+00
      4   0.125252D+02 -0.496189D+01 -0.653820D+01 -0.640440D+01 -0.623271D+01
      5  -0.673958D+01 -0.287378D+01  0.282413D+02 -0.640989D+01  0.630341D+01
      6   0.427880D+01  0.431155D+01 -0.869460D+01  0.642994D+01  0.607318D+00
                46            47            48            49            50 
      1  -0.143066D+03  0.391986D+02 -0.250741D+02  0.521346D+02 -0.247709D+02
      2   0.640553D+02 -0.183100D+02  0.139044D+02 -0.325375D+02  0.425972D+01
      3   0.790105D+02 -0.208886D+02  0.111697D+02 -0.195971D+02  0.205111D+02
      4   0.682474D+02 -0.336860D+02  0.158279D+02 -0.397766D+02 -0.150444D+02
      5  -0.393067D+02  0.119577D+02 -0.228808D+02  0.226163D+02 -0.764481D+00
      6   0.154834D+02 -0.600067D+01  0.177013D+01  0.398306D+00  0.475984D+01
                51            52            53            54            55 
      1   0.140311D+02 -0.481876D+02  0.131831D+02 -0.150226D+02  0.158919D+03
      2  -0.111349D+02  0.231443D+02 -0.330286D+01  0.317047D+01 -0.769930D+02
      3  -0.289624D+01  0.250434D+02 -0.988020D+01  0.118522D+02 -0.819257D+02
      4  -0.640712D+00  0.286045D+02 -0.210485D+01  0.808267D+01 -0.671447D+02
      5   0.330163D+01 -0.831258D+01  0.598888D+01 -0.119204D+02  0.343763D+02
      6  -0.676254D+01  0.641958D+00  0.226807D+01  0.458900D+01 -0.809705D+01
                56            57            58            59            60 
      1  -0.406656D+02  0.252806D+02 -0.922924D+02  0.306931D+02 -0.134980D+02
      2   0.152062D+02 -0.154724D+02  0.375452D+02 -0.280777D+01  0.776473D+01
      3   0.254594D+02 -0.980813D+01  0.547472D+02 -0.278853D+02  0.573326D+01
      4   0.414511D+02 -0.120647D+02  0.696536D+02 -0.479492D+02  0.146485D+02
      5  -0.101144D+02  0.289537D+02 -0.228587D+02  0.121381D+02 -0.164105D+02
      6   0.407769D+01 -0.582724D+01  0.885873D+01 -0.630497D+01  0.114976D+02
                61            62            63            64            65 
      1   0.451799D+02 -0.646730D+01  0.252160D+02 -0.238070D+02  0.279982D+02
      2  -0.261032D+02  0.442031D+01 -0.188596D+02  0.737119D+01 -0.257002D+02
      3  -0.190767D+02  0.204699D+01 -0.635639D+01  0.164358D+02 -0.229795D+01
      4  -0.192639D+02  0.106054D+02 -0.213567D+02  0.221761D+02  0.800759D+01
      5   0.471725D+02 -0.200657D+02  0.302365D+02  0.148713D+02 -0.159683D+02
      6  -0.930260D+01  0.109398D+02 -0.827702D+01 -0.104823D+02  0.149052D+02
                66            67            68            69            70 
      1   0.104557D+02  0.207414D+02  0.288050D+02 -0.179734D+02  0.174465D+02
      2   0.563329D+01 -0.172633D+02 -0.252044D+02  0.109378D+02  0.481338D+01
      3  -0.160890D+02 -0.347810D+01 -0.360058D+01  0.703558D+01 -0.222599D+02
      4  -0.205331D+02  0.898687D+01  0.830804D+00  0.102496D+02 -0.257439D+02
      5  -0.175236D+02 -0.172324D+02  0.824372D+01 -0.108477D+02 -0.238763D+02
      6   0.614218D+01  0.122698D+02 -0.204391D+00  0.346515D+01  0.825612D+01
                71            72            73            74            75 
      1  -0.205226D+02 -0.225439D+02  0.596859D+00 -0.137762D+02 -0.208619D+02
      2   0.105926D+02  0.237412D+02 -0.806423D+00  0.108362D+02  0.127043D+02
      3   0.993002D+01 -0.119728D+01  0.209564D+00  0.294007D+01  0.815751D+01
      4   0.144163D+02  0.182707D+01 -0.119197D+02  0.600099D+01 -0.124312D+01
      5  -0.493939D+01 -0.285050D+02 -0.101710D+02  0.317140D+01 -0.216231D+02
      6   0.383799D+01  0.670709D+01 -0.381510D+01  0.700345D+01 -0.674197D+01
                76            77            78            79            80 
      1  -0.173746D+02  0.173986D+02  0.747855D+01 -0.218992D+02  0.249081D+01
      2   0.177018D+02 -0.204577D+01 -0.535650D+01  0.129900D+02 -0.202525D+01
      3  -0.327192D+00 -0.153528D+02 -0.212205D+01  0.890915D+01 -0.465553D+00
      4   0.139828D+02  0.356715D+02  0.436961D+01  0.506958D+01  0.947179D+01
      5   0.104472D+02 -0.171486D+01 -0.113394D+02 -0.360675D+02 -0.154764D+02
      6   0.325564D+01 -0.976912D+00 -0.438193D+01 -0.131001D+02 -0.558899D+01
                81            82            83            84            85 
      1  -0.232452D+02 -0.203130D+02 -0.616832D+00  0.148643D+02  0.274609D+01
      2   0.155687D+02  0.178279D+02  0.652646D+01 -0.145051D+02  0.196889D+01
      3   0.767652D+01  0.248513D+01 -0.590963D+01 -0.359187D+00 -0.471498D+01
      4  -0.202323D+02  0.445598D+00  0.104876D+02  0.262274D+01  0.103437D+02
      5   0.101872D+02  0.686384D+01 -0.273653D+01  0.135394D+01 -0.608170D+01
      6   0.821401D+01  0.974741D+01 -0.672284D+01  0.284184D+01 -0.388335D+01
                86            87            88            89            90 
      1   0.991245D+01  0.459374D+01  0.177466D+02  0.107658D+02  0.143080D+02
      2  -0.452527D+01 -0.865941D+01 -0.166338D+02 -0.172221D+02 -0.163183D+02
      3  -0.538717D+01  0.406568D+01 -0.111288D+01  0.645631D+01  0.201031D+01
      4  -0.263071D+01 -0.125787D+02  0.128745D+01 -0.179477D+02 -0.258676D+01
      5  -0.642262D+01 -0.273825D+01  0.376965D+01 -0.491646D+01 -0.250373D+00
      6  -0.171010D+02 -0.137832D+02  0.345635D+01 -0.190234D+02 -0.272840D+01
                91            92            93            94            95 
      1  -0.580823D+02 -0.291825D+02 -0.145562D+02 -0.115181D+02  0.192948D+02
      2   0.250380D+02  0.230014D+02  0.111915D+02  0.137816D+02 -0.335266D+01
      3   0.330443D+02  0.618111D+01  0.336468D+01 -0.226353D+01 -0.159422D+02
      4  -0.251792D+02  0.158894D+02 -0.493844D+01  0.222364D+02  0.187372D+02
      5  -0.127383D+02 -0.213878D+01  0.126558D+02 -0.211413D+01 -0.868352D+01
      6  -0.622985D+01  0.201603D+01  0.768775D+01 -0.442028D+00 -0.903090D+01
                96            97            98            99           100 
      1   0.337665D+01 -0.219191D+02  0.519243D+00  0.203422D+02  0.505981D+02
      2  -0.763353D+01  0.119319D+02 -0.102714D+02 -0.873951D+01 -0.261936D+02
      3   0.425688D+01  0.998724D+01  0.975213D+01 -0.116027D+02 -0.244045D+02
      4  -0.684585D+01 -0.682986D+01 -0.614913D+01 -0.128371D+02  0.227362D+02
      5  -0.924617D+01  0.501087D+01 -0.152368D+02  0.251835D+02  0.227035D+02
      6  -0.339730D+01  0.279357D+01 -0.109381D+02  0.131525D+02  0.532710D+01
               101           102           103           104           105 
      1   0.924686D+01  0.188733D+02  0.277752D+01  0.407678D+01 -0.702603D+00
      2  -0.278759D+01 -0.104818D+02  0.290942D+00 -0.103878D+01  0.166065D+01
      3  -0.645928D+01 -0.839148D+01 -0.306847D+01 -0.303800D+01 -0.958047D+00
      4   0.130654D+02  0.752204D+01  0.101117D+02  0.380882D+01  0.500852D+01
      5   0.355675D+01  0.187322D+02  0.126689D+01  0.510130D+01  0.279084D+01
      6   0.181674D+01  0.527142D+01  0.226336D+01  0.231005D+01  0.384574D+01
               106           107           108           109           110 
      1   0.312865D+02  0.314730D+01  0.166977D+02  0.219419D+02  0.811729D+01
      2  -0.178488D+02  0.590415D+00 -0.127128D+02 -0.125107D+02 -0.376298D+01
      3  -0.134377D+02 -0.373772D+01 -0.398486D+01 -0.943120D+01 -0.435432D+01
      4   0.140156D+02  0.107716D+02  0.115515D+02  0.171600D+02  0.105159D+02
      5   0.254672D+02  0.726149D+01  0.205308D+02 -0.164227D+02 -0.700589D+01
      6   0.723585D+01  0.468104D+01  0.611551D+01 -0.717800D+01 -0.433042D+01
               111           112           113           114           115 
      1  -0.778141D+01  0.678538D+01 -0.946087D+00 -0.116905D+01 -0.171587D+02
      2   0.537227D+01 -0.227179D+01  0.380427D+01 -0.803707D+00  0.125059D+02
      3   0.240913D+01 -0.451360D+01 -0.285818D+01  0.197276D+01  0.465279D+01
      4  -0.883959D+01  0.129862D+02  0.990702D+01 -0.106354D+02 -0.198512D+02
      5   0.179655D+02 -0.759408D+01 -0.920681D+01  0.893467D+01  0.315596D+02
      6   0.629910D+01 -0.609016D+01 -0.672103D+01  0.834857D+01  0.132912D+02
               116           117           118           119           120 
      1  -0.264582D+01  0.892801D+01 -0.133563D+01  0.309017D+00 -0.152152D+01
      2  -0.194883D+00 -0.138501D+02 -0.546752D+01  0.918702D+00 -0.418739D+01
      3   0.284070D+01  0.492208D+01  0.680314D+01 -0.122772D+01  0.570891D+01
      4  -0.186110D+02  0.189508D+02 -0.126902D+00  0.401189D+01  0.455076D+00
      5   0.148052D+02 -0.358318D+02  0.805414D+01 -0.906802D+00  0.119207D+02
      6   0.114539D+02 -0.170896D+02  0.298177D+00  0.134345D+01  0.341572D-01
               121           122           123           124           125 
      1   0.582016D+01 -0.461423D+01  0.278640D+01 -0.858855D+01  0.615136D+00
      2  -0.152311D+01 -0.203551D+00  0.119869D+01 -0.556704D+01  0.322939D+01
      3  -0.429705D+01  0.481778D+01 -0.398509D+01  0.141556D+02 -0.384453D+01
      4   0.375595D+01  0.537814D+00  0.288403D+01  0.120478D+01  0.380061D+01
      5  -0.142155D+01  0.301213D+01 -0.224322D+01  0.166853D+02 -0.278480D+01
      6   0.157297D+01 -0.163144D+01  0.678275D+01  0.145844D+01  0.469168D+01
               126           127           128           129           130 
      1  -0.233652D+02 -0.283060D+01  0.740912D+01 -0.545442D+01  0.455228D+01
      2  -0.185566D+02  0.274338D+01 -0.961937D+01  0.509205D+01 -0.535572D+01
      3   0.419218D+02  0.872136D-01  0.221025D+01  0.362371D+00  0.803442D+00
      4  -0.558066D+00 -0.519597D+01  0.251145D+00 -0.222018D+01  0.204496D+01
      5   0.229437D+02 -0.401299D+00  0.618468D+00 -0.749591D+00  0.446849D+00
      6   0.512096D+00 -0.544407D+01  0.396838D+01 -0.569732D+01  0.265541D+01
               131           132           133           134           135 
      1  -0.127688D+02  0.484682D+01 -0.896341D+01  0.948229D+01 -0.132416D+02
      2   0.151084D+02 -0.492814D+01  0.628267D+01 -0.107494D+02  0.900530D+01
      3  -0.233967D+01  0.813122D-01  0.268074D+01  0.126707D+01  0.423630D+01
      4   0.121442D+00  0.829279D+00 -0.493693D+01 -0.654150D+00 -0.803633D+00
      5  -0.780384D+00  0.160318D+01 -0.167220D+00  0.246644D+01 -0.403184D+01
      6  -0.466985D+01  0.864199D+01 -0.450673D+01  0.111558D+02 -0.126853D+02
               136           137           138           139           140 
      1  -0.586308D+00  0.340643D+01  0.374707D+00  0.209150D+01 -0.304576D+02
      2   0.215369D+01 -0.187568D+01  0.581828D+00  0.383615D+00  0.406461D+02
      3  -0.156738D+01 -0.153075D+01 -0.956535D+00 -0.247511D+01 -0.101885D+02
      4   0.508270D+01  0.752806D+01  0.323222D+01  0.796805D+01  0.202016D+02
      5   0.975543D+00  0.303132D+01  0.363336D+01  0.248940D+01  0.879087D+01
      6   0.328747D+01  0.108973D+01 -0.115269D+00  0.164876D+01  0.261967D+02
               141           142           143           144           145 
      1  -0.146334D+02 -0.110643D-02 -0.212648D+02 -0.177981D+02 -0.732724D+01
      2   0.161371D+02  0.217370D+01  0.227401D+02  0.126945D+02  0.670172D+01
      3  -0.150370D+01 -0.217259D+01 -0.147531D+01  0.510354D+01  0.625523D+00
      4   0.946009D+01  0.520889D+01  0.144619D+02  0.900213D+01  0.256077D+01
      5   0.590188D+01  0.334116D+01  0.941484D+01  0.818674D+01  0.376385D+01
      6   0.188993D+02  0.917304D+00  0.248662D+02  0.212772D+02  0.583749D+01
               146           147           148           149           150 
      1  -0.107939D+02 -0.642956D+01 -0.881926D+01 -0.214111D+02 -0.662684D+01
      2   0.119548D+02  0.174613D+01  0.103451D+02  0.246162D+02  0.179539D+01
      3  -0.116093D+01  0.468343D+01 -0.152580D+01 -0.320510D+01  0.483145D+01
      4   0.749021D-02  0.108956D+01  0.240472D+01 -0.606640D+01 -0.228622D+01
      5   0.435279D+01  0.243948D+01  0.632930D+01  0.266543D+01 -0.213946D+01
      6   0.979632D+01  0.374453D+01  0.695770D+01  0.174974D+02  0.914119D+01
               151           152           153           154           155 
      1  -0.185085D+01 -0.605735D+00 -0.220047D+01 -0.585783D+01  0.264994D+01
      2  -0.141290D+00 -0.178508D+01  0.756667D+00 -0.178173D+01  0.314939D+01
      3   0.199214D+01  0.239082D+01  0.144381D+01  0.763955D+01 -0.579932D+01
      4   0.124339D+01  0.336057D+00 -0.455059D+00  0.262199D+01 -0.295737D+01
      5   0.283141D+01 -0.254631D+00  0.113988D-01  0.194565D+01 -0.671663D+00
      6   0.168667D+01  0.506186D+01  0.178302D+01 -0.234660D+01  0.560718D+01
               156           157           158           159           160 
      1  -0.912895D+01  0.442303D+01 -0.910982D+01  0.101258D+02 -0.525410D+01
      2  -0.219672D+01  0.137387D+01  0.160382D+01  0.446082D+01 -0.140326D+01
      3   0.113257D+02 -0.579690D+01  0.750600D+01 -0.145867D+02  0.665736D+01
      4   0.320518D+01 -0.320853D+01  0.710108D+01 -0.439731D+01  0.316543D+01
      5   0.315040D+01 -0.201846D+01  0.329812D+00  0.371828D+01  0.526214D+01
      6  -0.289244D+01  0.409864D+01 -0.872562D+01  0.578758D+01 -0.327424D+01
               161           162           163           164           165 
      1   0.602062D+01 -0.971595D+01  0.164416D+02 -0.166577D+01 -0.330331D+01
      2   0.252025D+01 -0.659978D+01 -0.176232D+02  0.311693D+01  0.154152D+02
      3  -0.854087D+01  0.163157D+02  0.118164D+01 -0.145115D+01 -0.121119D+02
      4  -0.326922D+01  0.343402D+01 -0.133718D+02  0.100974D+02  0.100998D+02
      5  -0.375191D+00 -0.200330D+01 -0.330893D+02  0.106649D+02  0.313514D+02
      6   0.640260D+01 -0.454484D+01  0.862244D+01 -0.759826D+01 -0.100327D+02
               166           167           168           169           170 
      1  -0.114016D+01 -0.173491D+01 -0.130247D+01 -0.384684D+01 -0.105391D+01
      2   0.194285D+01  0.469559D+00 -0.723004D+00  0.124358D+02 -0.184409D+01
      3  -0.802690D+00  0.126536D+01  0.202548D+01 -0.858899D+01  0.289801D+01
      4   0.743715D+01 -0.589729D+01 -0.699237D+01  0.826199D+01 -0.631703D+01
      5   0.643018D+01 -0.714309D+01 -0.617409D+01  0.244725D+02 -0.844616D+01
      6  -0.485359D+01  0.609385D+01  0.788384D+01 -0.760715D+01  0.763947D+01
               171           172           173           174           175 
      1  -0.272267D+01  0.155646D+02 -0.230042D+01  0.911329D+01  0.465483D+01
      2  -0.163108D+02 -0.113247D+02  0.102463D+01 -0.104211D+02 -0.345765D+01
      3   0.190335D+02 -0.423995D+01  0.127579D+01  0.130777D+01 -0.119718D+01
      4  -0.847575D+01 -0.602843D+01  0.362560D+01 -0.129566D+01  0.107981D+01
      5  -0.285904D+02  0.139954D+02  0.101550D+01  0.191563D+02  0.624527D+01
      6   0.106259D+02 -0.296670D+01  0.185476D+00 -0.580653D+01 -0.363216D+00
               176           177           178           179           180 
      1  -0.182760D+01  0.450803D+01  0.135500D+02  0.272267D+01  0.849815D+01
      2   0.178504D+00 -0.698653D+01 -0.143587D+02 -0.507283D+01 -0.240446D+02
      3   0.164910D+01  0.247850D+01  0.808713D+00  0.235016D+01  0.155464D+02
      4   0.350815D+01  0.405992D+01 -0.501673D+01  0.868787D+01 -0.496058D+01
      5   0.440147D+01  0.884236D+01  0.264551D+02 -0.100962D+01  0.458471D+02
      6   0.336998D+00  0.171765D+01 -0.806902D+01  0.540899D+01 -0.163909D+02
               181           182           183           184           185 
      1  -0.833904D+01 -0.203943D+02  0.243831D+01 -0.149655D+02 -0.337238D+02
      2   0.865360D+01  0.227728D+02 -0.263937D+01  0.113917D+02  0.459377D+02
      3  -0.314563D+00 -0.237853D+01  0.201065D+00  0.357376D+01 -0.122139D+02
      4   0.797441D+00 -0.736848D+01  0.338097D+01  0.509193D+01 -0.267288D+02
      5  -0.288244D+01  0.176281D+01 -0.961205D+00 -0.100137D+01  0.234228D+01
      6  -0.111396D+01 -0.644622D+01  0.460304D+01 -0.266576D+01 -0.119793D+02
               186           187           188           189           190 
      1   0.656395D+01 -0.649261D-01  0.615973D+01 -0.333296D+01  0.601658D+02
      2  -0.581995D+01 -0.142817D+01 -0.432372D+01  0.239228D+01 -0.235697D+02
      3  -0.743995D+00  0.149310D+01 -0.183601D+01  0.940676D+00 -0.365962D+02
      4   0.345393D+01  0.210698D+01  0.109722D+01 -0.315651D+01 -0.402048D+02
      5  -0.422858D+01  0.309809D+01 -0.330377D+01  0.418137D+01 -0.139849D+02
      6   0.858560D+01  0.877331D+00  0.779607D+01 -0.402109D+01  0.698606D+01
               191           192           193           194           195 
      1  -0.192234D+02 -0.143032D+02 -0.120642D+02  0.484752D+01  0.400776D+01
      2   0.351050D+01  0.449075D+01  0.600249D+00  0.506042D+01 -0.820044D-01
      3   0.157129D+02  0.981245D+01  0.114639D+02 -0.990794D+01 -0.392576D+01
      4   0.237971D+02  0.101785D+02  0.193579D+02 -0.162967D+02 -0.660926D+01
      5   0.562998D+01  0.151939D+02  0.443165D+01 -0.473080D+01 -0.249286D+01
      6  -0.379589D+01 -0.727073D+01 -0.363533D+01  0.184238D+01  0.350201D+01
               196           197           198           199           200 
      1  -0.275361D+02  0.888669D+01  0.121285D+02  0.242156D+00  0.154039D+01
      2   0.953859D+01  0.556604D-01 -0.740177D+01 -0.680890D+00 -0.424849D-01
      3   0.179975D+02 -0.894235D+01 -0.472670D+01  0.438734D+00 -0.149791D+01
      4   0.219375D+02 -0.168406D+02 -0.961637D+01  0.336631D+01  0.508453D+01
      5   0.175912D+02 -0.652805D+01 -0.120795D+02 -0.105515D+01 -0.182380D+01
      6  -0.830341D+01  0.463222D+01  0.660613D+01 -0.227854D+01 -0.581466D+00
               201           202           203           204           205 
      1  -0.131099D+01  0.240277D+01 -0.127750D+02  0.590709D+01 -0.140828D+01
      2   0.505973D+00 -0.636988D+00  0.128385D+02 -0.243446D+01  0.291149D+01
      3   0.805015D+00 -0.176578D+01 -0.634566D-01 -0.347264D+01 -0.150321D+01
      4  -0.945555D+00  0.520683D+01  0.894092D+01 -0.294598D+01 -0.109256D+01
      5   0.125365D+01 -0.230594D+01 -0.376124D+01  0.249040D+01  0.199510D+01
      6   0.401379D+00 -0.660222D+00 -0.108397D+02  0.645052D+01  0.213404D+01
               206           207           208           209           210 
      1   0.479334D+01 -0.105088D+01 -0.835705D+00 -0.163646D+01  0.348285D+00
      2  -0.257314D+01  0.652461D+00  0.253771D+01  0.114548D+01 -0.144536D+00
      3  -0.222020D+01  0.398417D+00 -0.170201D+01  0.490979D+00 -0.203748D+00
      4  -0.124130D+01  0.467320D+00 -0.138377D+01  0.510882D+01 -0.113768D+01
      5   0.167334D+01 -0.216224D+00  0.978259D+00 -0.585183D+00  0.776987D+00
      6   0.444535D+01 -0.345587D+01 -0.799748D+00  0.114808D+01 -0.871191D-01
               211           212           213           214           215 
      1  -0.525552D+01 -0.206061D+02  0.323961D+01  0.254443D+01  0.494165D+01
      2   0.258889D+01  0.265211D+02 -0.310831D+01 -0.312929D+00 -0.538843D+01
      3   0.266663D+01 -0.591499D+01 -0.131295D+00 -0.223150D+01  0.446782D+00
      4   0.330776D+01 -0.199028D+02  0.310727D+01 -0.156593D+01  0.531464D+01
      5  -0.586884D+00  0.239382D+01 -0.241512D+01 -0.102837D+01 -0.212307D+01
      6   0.457772D+00 -0.189900D+01  0.485210D+01  0.171256D+01  0.345165D+01
               216           217           218           219           220 
      1  -0.384877D+01  0.460094D+01  0.614500D+01 -0.596466D+01  0.497452D+01
      2   0.299225D+01 -0.355489D+01 -0.473996D+01  0.192393D+01 -0.259573D+01
      3   0.856512D+00 -0.104605D+01 -0.140504D+01  0.404073D+01 -0.237880D+01
      4  -0.260238D+01  0.205273D+01 -0.320106D+01 -0.106146D+01  0.267432D+01
      5   0.160126D+01 -0.290504D+01  0.363464D+00 -0.833573D+00 -0.338541D+00
      6  -0.215271D+01 -0.221889D+01  0.115301D+01 -0.279422D+01 -0.859565D+00
               221           222           223           224           225 
      1  -0.781668D+01  0.455291D+01 -0.917215D+01  0.500628D+01 -0.168372D+02
      2   0.636680D+01 -0.352250D+01  0.474550D+01 -0.302064D+01 -0.359741D+01
      3   0.144988D+01 -0.103042D+01  0.442665D+01 -0.198564D+01  0.204346D+02
      4   0.796831D+01 -0.601394D+01 -0.994769D+01 -0.160031D+02  0.138590D+02
      5  -0.645886D+01  0.889186D+01  0.886931D+01  0.159389D+02 -0.433452D+02
      6  -0.537878D+01  0.957961D+01  0.311303D+01  0.135664D+02 -0.233921D+02
               226           227           228           229           230 
      1   0.864578D+02  0.206095D+02  0.611352D+01  0.816514D+01  0.756938D+01
      2  -0.392458D+02 -0.545251D+01 -0.269411D+01  0.802430D-02 -0.242539D+00
      3  -0.472120D+02 -0.151570D+02 -0.341942D+01 -0.817317D+01 -0.732684D+01
      4   0.434013D+02  0.234695D+02  0.343689D+01  0.148965D+02  0.932964D+01
      5   0.332313D+01  0.119484D+01  0.126990D+02  0.768586D+00  0.193404D+01
      6   0.298327D+01  0.625501D+00  0.444677D+01  0.253741D-01  0.108463D+01
               231           232           233           234           235 
      1   0.310704D+00  0.128647D+02  0.283681D+01  0.720232D+01 -0.553145D+01
      2   0.957341D+00 -0.629121D+01  0.193771D+00 -0.437552D+01  0.540339D+01
      3  -0.126804D+01 -0.657346D+01 -0.303058D+01 -0.282679D+01  0.128062D+00
      4   0.231601D+01  0.725688D+01  0.524990D+01  0.636236D+01 -0.672018D+00
      5   0.238892D+01  0.117553D+02  0.500475D+01  0.257009D+01  0.428841D+01
      6   0.231108D+01  0.384375D+01  0.320377D+01  0.735448D+00  0.351183D+01
               236           237           238           239           240 
      1   0.150570D+02  0.905341D+01  0.154349D+02 -0.212929D+02 -0.881698D+01
      2  -0.154338D+02 -0.636314D+01 -0.102269D+02  0.266630D+02  0.972551D+01
      3   0.376798D+00 -0.269028D+01 -0.520795D+01 -0.537005D+01 -0.908536D+00
      4  -0.996025D+01 -0.479035D+00  0.250699D+01  0.201581D+02  0.626276D+01
      5  -0.234982D+01 -0.569792D+01 -0.314834D+01  0.773155D+01  0.994419D+01
      6  -0.438666D+01 -0.547450D+01 -0.215264D+01  0.859537D+01  0.857763D+01
               241           242           243 
      1   0.107128D+02 -0.102740D+02 -0.129538D+02
      2  -0.549706D+01  0.126369D+02  0.810974D+01
      3  -0.521571D+01 -0.236292D+01  0.484406D+01
      4   0.334743D+01  0.125988D+02  0.837244D+01
      5  -0.936124D+00  0.104517D+02  0.707630D+01
      6  -0.198325D+01  0.110435D+02  0.771144D+01
 Leave Link  716 at Thu Aug 12 23:24:55 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167263D+03 -0.619137D+01  0.682530D+01
      2  -0.619137D+01  0.120858D+03 -0.316448D+01
      3   0.682530D+01 -0.316448D+01  0.102860D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.235534D+01 -0.184021D+01 -0.110196D+02
      2   0.425292D+02 -0.145196D+02 -0.355649D+02
      3  -0.929082D+00  0.197772D+02  0.126169D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.595384D+02 -0.178350D+02  0.362311D+02
      2  -0.134932D+02  0.190146D+02 -0.181828D+02
      3  -0.460452D+02 -0.117962D+01 -0.180483D+02
      4  -0.826296D-01 -0.346795D+02 -0.334489D+02
      5   0.316609D+02 -0.317473D+02 -0.870280D+02
      6  -0.101156D+02 -0.485983D+01  0.269304D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.320715D+01 -0.186796D+01 -0.386176D+01 -0.117034D+01 -0.382011D+01
      2  -0.186796D+01 -0.374188D+01  0.219444D+01 -0.382011D+01 -0.183953D+01
      3  -0.386176D+01  0.219444D+01  0.352333D+01  0.217555D+01 -0.187331D+01
                 6             7             8             9            10 
      1   0.217555D+01 -0.321357D+01  0.262557D+01  0.324424D+01 -0.206613D+02
      2  -0.187331D+01  0.262557D+01 -0.120340D+01  0.912061D+00  0.408873D+01
      3   0.154645D+01  0.324424D+01  0.912061D+00  0.116128D+01  0.304726D+01
                11            12            13            14            15 
      1   0.408873D+01  0.304726D+01  0.113774D+02  0.197106D+01 -0.258623D+01
      2   0.278054D+01 -0.222670D+01  0.197106D+01  0.436916D+01  0.146922D+01
      3  -0.222670D+01 -0.343276D+01 -0.258623D+01  0.146922D+01 -0.961694D+00
                16            17            18            19            20 
      1   0.128604D+02 -0.374761D+01 -0.515774D+01  0.340145D+02 -0.476462D+01
      2  -0.374761D+01  0.258877D+01 -0.457211D+00 -0.476462D+01  0.277632D+01
      3  -0.515774D+01 -0.457211D+00 -0.299141D+01  0.739575D+00  0.888570D+00
                21            22            23            24            25 
      1   0.739575D+00 -0.980704D+01  0.312821D+01  0.186851D+01 -0.449921D+01
      2   0.888570D+00  0.312821D+01  0.189260D+01 -0.178590D+01  0.217659D+01
      3   0.272183D+01  0.186851D+01 -0.178590D+01 -0.211047D+01  0.621333D+01
                26            27            28            29            30 
      1   0.217659D+01  0.621333D+01 -0.512122D+02  0.569436D+01 -0.468119D+01
      2  -0.270961D+01 -0.176074D+01  0.569436D+01 -0.244930D+01 -0.147625D+00
      3  -0.176074D+01  0.515332D+01 -0.468119D+01 -0.147625D+00 -0.254672D+01
                31            32            33            34            35 
      1   0.151433D+02 -0.481768D+01  0.102387D+01 -0.135900D+02  0.230699D+00
      2  -0.481768D+01 -0.163075D+01  0.112576D+01  0.230699D+00  0.103380D+01
      3   0.102387D+01  0.112576D+01  0.173301D+01 -0.693331D+01  0.118656D+01
                36            37            38            39            40 
      1  -0.693331D+01  0.504571D+02 -0.757080D+01  0.675827D+01 -0.116251D+02
      2   0.118656D+01 -0.757080D+01  0.112923D+01 -0.431984D+00  0.393139D+01
      3  -0.493984D+01  0.675827D+01 -0.431984D+00  0.261227D+01 -0.572732D+00
                41            42            43            44            45 
      1   0.393139D+01 -0.572732D+00  0.145846D+02 -0.114896D+01  0.583719D+01
      2   0.259956D+01 -0.161057D+01 -0.114896D+01 -0.182490D+01 -0.139798D+01
      3  -0.161057D+01 -0.200664D+01  0.583719D+01 -0.139798D+01  0.276268D+01
                46            47            48            49            50 
      1  -0.359567D+02  0.753237D+01 -0.715602D+01  0.813391D+01 -0.415534D+01
      2   0.753237D+01 -0.167474D+01  0.198760D+01 -0.415534D+01 -0.239665D+01
      3  -0.715602D+01  0.198760D+01 -0.734933D+00  0.285934D+01  0.739828D-01
                51            52            53            54            55 
      1   0.285934D+01 -0.961618D+01  0.291869D+01 -0.192123D+01  0.302187D+02
      2   0.739828D-01  0.291869D+01  0.415839D+00  0.937770D+00 -0.676899D+01
      3   0.974276D+00 -0.192123D+01  0.937770D+00 -0.790137D+00  0.534219D+01
                56            57            58            59            60 
      1  -0.676899D+01  0.534219D+01 -0.209136D+02  0.718890D+01 -0.389695D+01
      2   0.295436D+01 -0.131509D+01  0.718890D+01 -0.525749D+01  0.181517D+01
      3  -0.131509D+01  0.194117D+01 -0.389695D+01  0.181517D+01 -0.181343D+01
                61            62            63            64            65 
      1   0.106398D+02 -0.196215D+01  0.589096D+01  0.561798D+01 -0.252147D+01
      2  -0.196215D+01  0.916891D+00 -0.266629D+01 -0.252147D+01 -0.339450D+01
      3   0.589096D+01 -0.266629D+01  0.358174D+01 -0.222149D+01  0.275392D+01
                66            67            68            69            70 
      1  -0.222149D+01 -0.201990D+01 -0.263902D+01  0.292854D+01 -0.413252D+01
      2   0.275392D+01 -0.263902D+01 -0.315854D+01 -0.541302D+00  0.299217D+01
      3   0.279133D+01  0.292854D+01 -0.541302D+00  0.174025D+01  0.380129D+01
                71            72            73            74            75 
      1   0.299217D+01  0.380129D+01  0.244284D+01  0.203692D+01  0.151970D+01
      2  -0.112228D+01  0.767749D+00  0.203692D+01 -0.262095D+01 -0.864425D+00
      3   0.767749D+00  0.442626D+01  0.151970D+01 -0.864425D+00  0.290597D+01
                76            77            78            79            80 
      1   0.305566D+01 -0.301734D+01 -0.183345D+01 -0.533608D+00 -0.132636D+01
      2  -0.301734D+01 -0.570221D+01 -0.382594D+00 -0.132636D+01 -0.939940D+00
      3  -0.183345D+01 -0.382594D+00  0.137687D+01  0.497860D+01  0.210797D+01
                81            82            83            84            85 
      1   0.497860D+01  0.309388D+01 -0.247630D+01 -0.213249D+01 -0.343541D+01
      2   0.210797D+01 -0.247630D+01 -0.167087D+01  0.180494D+01 -0.228992D+01
      3  -0.127949D+01 -0.213249D+01  0.180494D+01 -0.791826D+00  0.147209D+01
                86            87            88            89            90 
      1  -0.228992D+01  0.147209D+01 -0.197831D+01  0.199777D+01 -0.120107D+01
      2   0.953312D+00  0.284744D+01  0.199777D+01  0.402187D+01  0.255951D+01
      3   0.284744D+01  0.201566D+01 -0.120107D+01  0.255951D+01 -0.470231D+00
                91            92            93            94            95 
      1  -0.844367D+01 -0.196130D+01 -0.209053D+01  0.578390D+00  0.380801D+01
      2  -0.196130D+01  0.339180D+01 -0.280250D-01  0.380801D+01  0.154111D+01
      3  -0.209053D+01 -0.280250D-01  0.177273D+01 -0.301602D-01 -0.128616D+01
                96            97            98            99           100 
      1  -0.301602D-01 -0.320607D+01 -0.219635D+00  0.614541D+00 -0.648335D+01
      2  -0.128616D+01 -0.219635D+00 -0.127163D+01 -0.258123D+01 -0.161005D+01
      3  -0.184460D+01  0.614541D+00 -0.258123D+01  0.381107D+01 -0.268890D+01
               101           102           103           104           105 
      1  -0.161005D+01 -0.268890D+01 -0.387239D+00 -0.849479D+00 -0.118948D+00
      2  -0.126169D+01 -0.477961D+00 -0.849479D+00 -0.205392D+00 -0.525879D+00
      3  -0.477961D+00 -0.222398D+01 -0.118948D+00 -0.525879D+00 -0.350223D+00
               106           107           108           109           110 
      1  -0.485822D+01 -0.781466D+00 -0.309002D+01 -0.302841D+01 -0.156488D+01
      2  -0.781466D+00 -0.138729D+01 -0.103626D+01 -0.156488D+01 -0.780954D+00
      3  -0.309002D+01 -0.103626D+01 -0.272602D+01  0.182827D+01  0.829920D+00
               111           112           113           114           115 
      1   0.182827D+01 -0.915089D+00 -0.128087D+01  0.994611D+00  0.455021D+01
      2   0.829920D+00 -0.128087D+01 -0.128838D+01  0.128766D+01  0.192949D+01
      3  -0.199060D+01  0.994611D+00  0.128766D+01 -0.127122D+01 -0.403944D+01
               116           117           118           119           120 
      1   0.192949D+01 -0.403944D+01 -0.502381D+01  0.102051D+01 -0.182668D+01
      2   0.233701D+01 -0.207013D+01  0.102051D+01 -0.542452D+00  0.329780D-01
      3  -0.207013D+01  0.516720D+01 -0.182668D+01  0.329780D-01 -0.178520D+01
               121           122           123           124           125 
      1   0.443365D+01 -0.115572D+01  0.151849D+00 -0.344264D+01 -0.567884D-01
      2  -0.115572D+01  0.216546D+00 -0.970136D+00 -0.567884D-01 -0.116824D+01
      3   0.151849D+00 -0.970136D+00  0.112510D+01 -0.331284D+01  0.977250D+00
               126           127           128           129           130 
      1  -0.331284D+01  0.217019D+01 -0.204790D+00  0.906587D+00 -0.339333D+00
      2   0.977250D+00 -0.204790D+00  0.154669D+01 -0.807578D+00  0.869306D+00
      3  -0.842420D+01  0.906587D+00 -0.807578D+00  0.126611D+01 -0.522921D+00
               131           132           133           134           135 
      1   0.869306D+00 -0.522921D+00  0.177753D+01 -0.689293D+00  0.872354D+00
      2  -0.225712D+01  0.825082D+00 -0.689293D+00  0.191829D+01 -0.170346D+01
      3   0.825082D+00 -0.116253D+01  0.872354D+00 -0.170346D+01  0.285285D+01
               136           137           138           139           140 
      1  -0.760653D+00 -0.933092D+00 -0.425500D+00 -0.319059D+00 -0.370235D+00
      2  -0.933092D+00 -0.124892D+00 -0.219129D+00 -0.370235D+00 -0.706369D+01
      3  -0.425500D+00 -0.219129D+00  0.800330D-02 -0.228664D+00 -0.333346D+01
               141           142           143           144           145 
      1  -0.228664D+00 -0.101137D+01 -0.462082D+00  0.928598D-01  0.237029D+01
      2  -0.333346D+01 -0.462082D+00 -0.483305D+01 -0.345208D+01  0.185758D+01
      3  -0.237096D+01  0.928598D-01 -0.345208D+01 -0.319816D+01  0.566925D+00
               146           147           148           149           150 
      1   0.185758D+01  0.566925D+00  0.184106D+01  0.233029D+01  0.213728D+00
      2   0.280862D+01  0.544916D+00  0.233029D+01  0.541635D+01  0.140443D+01
      3   0.544916D+00  0.784312D+00  0.213728D+00  0.140443D+01  0.148055D+01
               151           152           153           154           155 
      1  -0.304036D+00 -0.165117D-01  0.261569D+00  0.192627D+01 -0.843062D+00
      2  -0.165117D-01  0.992461D-01  0.559729D+00 -0.843062D+00  0.152542D+01
      3   0.261569D+00  0.559729D+00  0.280649D+00  0.121374D+01 -0.703294D+00
               156           157           158           159           160 
      1   0.121374D+01 -0.136862D+01  0.134931D+01 -0.848854D+00  0.969698D+00
      2  -0.703294D+00  0.134931D+01 -0.231247D+01  0.126601D+01 -0.696016D+00
      3   0.151410D+01 -0.848854D+00  0.126601D+01 -0.257708D+01  0.795091D+00
               161           162           163           164           165 
      1  -0.696016D+00  0.795091D+00 -0.534907D+01  0.159761D+01  0.369290D+01
      2   0.117416D+01 -0.118755D+01  0.159761D+01 -0.122296D+01 -0.148470D+01
      3  -0.118755D+01  0.247713D+01  0.369290D+01 -0.148470D+01 -0.433614D+01
               166           167           168           169           170 
      1   0.729433D+00 -0.681890D+00 -0.832737D+00  0.239030D+01 -0.102955D+01
      2  -0.681890D+00  0.118803D+01  0.124984D+01 -0.102955D+01  0.105736D+01
      3  -0.832737D+00  0.124984D+01  0.845225D+00 -0.306968D+01  0.123690D+01
               171           172           173           174           175 
      1  -0.306968D+01 -0.234448D+01  0.299446D+00 -0.160289D+01 -0.872424D+00
      2   0.123690D+01  0.299446D+00 -0.117086D+00 -0.177219D+00  0.656198D-01
      3   0.439731D+01 -0.160289D+01 -0.177219D+00 -0.217430D+01 -0.798085D+00
               176           177           178           179           180 
      1   0.656198D-01 -0.798085D+00 -0.243986D+01  0.183011D+00 -0.321115D+01
      2  -0.394135D+00 -0.713320D+00  0.183011D+00 -0.141721D+01  0.168600D+00
      3  -0.713320D+00 -0.140929D+01 -0.321115D+01  0.168600D+00 -0.689436D+01
               181           182           183           184           185 
      1   0.128456D+01  0.131325D+01  0.338014D-01  0.163610D+01  0.959660D+00
      2   0.131325D+01  0.374779D+01 -0.849046D+00  0.959660D+00  0.767384D+01
      3   0.338014D-01 -0.849046D+00  0.651840D+00 -0.273578D+00 -0.114841D+01
               186           187           188           189           190 
      1  -0.273578D+00  0.319149D+00 -0.458519D+00 -0.113807D+00 -0.785550D+01
      2  -0.114841D+01 -0.458519D+00 -0.560007D+00  0.100044D+01  0.336030D+01
      3   0.107324D+01 -0.113807D+00  0.100044D+01 -0.819990D+00  0.196248D+01
               191           192           193           194           195 
      1   0.336030D+01  0.196248D+01  0.167534D+01 -0.170468D+01 -0.799161D+00
      2  -0.204386D+01 -0.867797D+00 -0.170468D+01  0.204700D+01  0.605558D+00
      3  -0.867797D+00 -0.188552D+01 -0.799161D+00  0.605558D+00  0.359337D+00
               196           197           198           199           200 
      1   0.467295D+01 -0.212993D+01 -0.221483D+01 -0.442482D+00  0.138142D+01
      2  -0.212993D+01  0.197414D+01  0.843614D+00  0.138142D+01  0.783465D+00
      3  -0.221483D+01  0.843614D+00  0.153249D+01 -0.630256D+00 -0.105853D+00
               201           202           203           204           205 
      1  -0.630256D+00  0.192300D+01  0.100910D+01  0.459312D-01 -0.190587D+01
      2  -0.105853D+00  0.100910D+01  0.576172D+01 -0.171270D+01  0.398985D+00
      3  -0.104645D+00  0.459312D-01 -0.171270D+01  0.123250D+01  0.826130D+00
               206           207           208           209           210 
      1   0.398985D+00  0.826130D+00  0.198831D+00 -0.106840D+01  0.427415D+00
      2  -0.139811D+01  0.863458D+00 -0.106840D+01 -0.108540D+00 -0.552369D-01
      3   0.863458D+00 -0.463936D+00  0.427415D+00 -0.552369D-01  0.145955D+00
               211           212           213           214           215 
      1  -0.223188D+01 -0.372804D+00 -0.803456D-01  0.707261D+00 -0.107193D+00
      2  -0.372804D+00 -0.667209D+01  0.113018D+01 -0.107193D+00  0.155677D+01
      3  -0.803456D-01  0.113018D+01 -0.104257D+01 -0.328267D+00 -0.763731D+00
               216           217           218           219           220 
      1  -0.328267D+00  0.111280D+01  0.265965D+00 -0.518959D+00  0.116487D+01
      2  -0.763731D+00  0.265965D+00 -0.934854D+00  0.161226D+00  0.814944D-01
      3   0.373706D+00 -0.518959D+00  0.161226D+00 -0.646051D+00  0.258667D-02
               221           222           223           224           225 
      1   0.814944D-01  0.258667D-02 -0.197556D+01 -0.955229D+00  0.589050D+00
      2   0.139984D+01 -0.104622D+01 -0.955229D+00 -0.243062D+01  0.238696D+01
      3  -0.104622D+01  0.140236D+01  0.589050D+00  0.238696D+01 -0.671727D+01
               226           227           228           229           230 
      1   0.100647D+02  0.296702D+01  0.749948D+00  0.134668D+01  0.105779D+01
      2   0.296702D+01  0.193376D+01  0.203599D+00  0.105779D+01  0.740219D+00
      3   0.749948D+00  0.203599D+00  0.122775D+01  0.141456D+00  0.302368D+00
               231           232           233           234           235 
      1   0.141456D+00  0.163631D+01  0.521081D+00  0.111629D+01 -0.618198D+00
      2   0.302368D+00  0.521081D+00  0.612921D+00  0.640397D+00  0.740246D+00
      3   0.315248D+00  0.111629D+01  0.640397D+00  0.197865D+00  0.104760D+01
               236           237           238           239           240 
      1   0.740246D+00  0.104760D+01  0.236627D+01 -0.595059D+00 -0.455250D+00
      2  -0.268848D+01 -0.640451D+00 -0.595059D+00  0.437916D+01  0.152725D+01
      3  -0.640451D+00 -0.121403D+01 -0.455250D+00  0.152725D+01  0.170065D+01
               241           242           243 
      1   0.159882D+01 -0.186762D+00 -0.540109D+00
      2  -0.186762D+00  0.255924D+01  0.192769D+01
      3  -0.540109D+00  0.192769D+01  0.153950D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.103152D+01 -0.109001D+02  0.176053D+01 -0.112287D+02 -0.284474D+01
      2   0.714338D+01  0.664011D+00  0.463709D+01 -0.533132D+00  0.118141D+02
      3  -0.209487D+01 -0.106327D+02 -0.770181D+00 -0.638610D+01 -0.753657D+01
                 6             7             8             9            10 
      1  -0.834418D+01  0.196632D+01 -0.214165D+01  0.289249D+01 -0.792745D+01
      2  -0.718455D+01 -0.164092D+01 -0.588938D+01 -0.779780D+01 -0.248456D+02
      3  -0.235094D+00  0.139018D+01  0.159979D+00  0.437551D+01  0.394112D+01
                11            12            13            14            15 
      1   0.572313D+01  0.229768D+01  0.605081D+01 -0.711849D+00 -0.356826D+01
      2   0.799849D+01  0.119038D+02  0.154453D+02 -0.690326D+01  0.255102D+01
      3   0.654070D+01 -0.204615D+01  0.135519D+02  0.143278D+02  0.187935D+01
                16            17            18            19            20 
      1   0.396261D+01  0.559625D+01  0.100852D+01  0.107099D+02 -0.412005D+01
      2   0.143374D+02  0.135044D+01  0.432111D+01  0.255383D+02 -0.579090D+01
      3  -0.328143D+01  0.871256D+00 -0.403375D+01 -0.370102D+01 -0.429005D+01
                21            22            23            24            25 
      1  -0.250568D+01 -0.537958D+01 -0.522837D+01 -0.482068D+00 -0.652603D+01
      2   0.871711D+00 -0.124274D+02  0.522498D+01  0.398020D+01 -0.183709D+02
      3  -0.792127D+00  0.818424D+01 -0.152766D+01 -0.721421D+00 -0.219879D+01
                26            27            28            29            30 
      1   0.474869D+01  0.287527D+01 -0.111878D+02  0.158662D+01  0.112389D+01
      2   0.378895D+01  0.260849D+01 -0.295522D+02  0.296224D+01 -0.785516D+01
      3  -0.933417D+00 -0.160842D+01  0.463339D+01  0.274647D+01  0.221701D+01
                31            32            33            34            35 
      1   0.281278D+01  0.288534D+01 -0.184059D+01  0.470212D+01  0.294169D+01
      2   0.874818D+01 -0.323797D+01  0.181322D+01 -0.418580D+02  0.340741D+01
      3   0.184252D+02 -0.153778D+01  0.110802D+01  0.724688D+01  0.146396D+01
                36            37            38            39            40 
      1  -0.120597D+01  0.853453D+01 -0.145177D+01 -0.221752D+01 -0.759350D+01
      2  -0.104440D+02  0.375668D+02 -0.404514D+01  0.126817D+02 -0.695357D+01
      3   0.622072D+00  0.345907D+01 -0.628018D+01 -0.156679D+01  0.927573D+01
                41            42            43            44            45 
      1   0.513946D+00 -0.220377D+01 -0.522779D+01  0.110034D+01 -0.596284D+00
      2  -0.992016D+00  0.204649D+00  0.128943D+02 -0.930216D+00  0.725489D+01
      3  -0.120151D+02  0.485094D+01 -0.445422D+01  0.321105D+01  0.382513D+00
                46            47            48            49            50 
      1  -0.732905D+01 -0.156666D+01  0.763621D+01 -0.141101D+01  0.665187D+01
      2  -0.214877D+02  0.436271D+01 -0.168522D+02  0.322353D+01 -0.113845D+01
      3  -0.102108D+02  0.900730D+01  0.205434D+01  0.195323D+02  0.650399D+01
                51            52            53            54            55 
      1   0.425025D+01  0.427047D+01  0.148283D+02 -0.328575D+01  0.403559D+01
      2   0.270985D+01 -0.268249D+02 -0.724771D+00 -0.808503D+01  0.170931D+02
      3   0.207104D+01  0.818559D+00  0.413659D+01 -0.187457D+01  0.549012D+01
                56            57            58            59            60 
      1   0.164262D+01 -0.118708D+01 -0.161391D+01 -0.246122D+01 -0.495899D+01
      2  -0.399655D+01  0.175517D+02 -0.114960D+02  0.592677D+01 -0.111716D+02
      3  -0.172484D+02  0.458538D+00 -0.829331D+01  0.172585D+02 -0.357357D+01
                61            62            63            64            65 
      1   0.164323D+01 -0.676444D+00  0.210003D+01  0.587354D+01 -0.396771D+01
      2   0.151942D+02 -0.572055D+01  0.137203D+02  0.991267D+01 -0.106941D+02
      3   0.629436D-01 -0.672515D+01  0.523659D+01  0.681816D+00 -0.193042D+02
                66            67            68            69            70 
      1  -0.763098D+01 -0.387106D+01  0.379838D+01 -0.394175D+01 -0.109288D+02
      2  -0.860584D+01 -0.959414D+01  0.286326D+00 -0.306258D+01 -0.165419D+02
      3   0.557868D+01 -0.845379D+01 -0.183572D+02  0.370948D+01  0.425391D+01
                71            72            73            74            75 
      1   0.203531D+01 -0.924339D+01  0.401280D+01 -0.357071D+01  0.365537D+01
      2   0.364419D+00 -0.117374D+02 -0.235502D+01  0.199251D+01 -0.905594D+01
      3   0.358467D+01  0.916359D+01  0.826117D+01 -0.171665D+02 -0.773504D+01
                76            77            78            79            80 
      1  -0.265646D+01 -0.307012D+01  0.213989D+00  0.704682D+01  0.571013D+01
      2   0.528069D+01  0.201619D+01 -0.521954D+01 -0.225744D+02 -0.815452D+01
      3  -0.980529D+01 -0.150009D+02  0.244318D+00 -0.813532D+01  0.990833D+00
                81            82            83            84            85 
      1  -0.153141D+01 -0.398425D+01  0.669659D+01 -0.256498D+01  0.893652D+01
      2   0.523032D+01  0.412531D+01 -0.324046D+01  0.242418D+01 -0.551453D+01
      3   0.168800D+01 -0.110383D+02  0.753712D+00  0.848665D+01  0.866478D+01
                86            87            88            89            90 
      1   0.953297D+01  0.131286D+01 -0.182755D+01  0.878322D+01 -0.138846D+01
      2  -0.401316D+01 -0.103655D+01 -0.135617D+01 -0.404069D+00  0.355107D+00
      3   0.529369D+01 -0.135693D+01  0.106913D+02 -0.923181D+00  0.655458D+01
                91            92            93            94            95 
      1   0.305068D+01 -0.270054D+01 -0.563525D+01  0.450416D-01  0.254414D+01
      2  -0.945487D+01 -0.209893D+00  0.841926D+01  0.635116D+00 -0.337566D+01
      3  -0.124958D+01 -0.196076D+02 -0.358089D+01 -0.101445D+02 -0.326875D+00
                96            97            98            99           100 
      1  -0.413461D+00  0.300719D+01  0.106083D+02 -0.698707D+01 -0.339579D+01
      2  -0.471561D+01 -0.197546D+01 -0.997791D+01  0.137180D+02  0.800967D+01
      3   0.511870D+01 -0.290010D+01  0.639405D+01  0.125220D+02  0.379195D+01
               101           102           103           104           105 
      1   0.485299D+00 -0.334504D+01 -0.145261D+00 -0.530141D+00 -0.137860D+01
      2   0.114237D+01  0.943981D+01  0.692481D+00  0.139649D+01  0.134150D+01
      3  -0.399589D+01  0.201524D+01  0.559782D-01  0.848021D+00 -0.145052D+01
               106           107           108           109           110 
      1  -0.369113D+01  0.531950D+00 -0.385882D+01  0.207811D+01  0.335659D-01
      2   0.726719D+01  0.277145D+01  0.933914D+01 -0.344716D+01 -0.242905D+01
      3   0.366666D+01 -0.503395D+01  0.676036D+00  0.269985D+00 -0.229481D+01
               111           112           113           114           115 
      1  -0.289968D+01  0.173085D+01  0.943090D+00 -0.252080D+01 -0.441939D+01
      2   0.761706D+01 -0.186588D+01 -0.420334D+01  0.443538D+01  0.971644D+01
      3   0.442276D+00 -0.102098D+00 -0.268846D+01  0.248591D+01  0.392995D+00
               116           117           118           119           120 
      1   0.996606D+00  0.724543D+01 -0.147267D+01  0.144908D+01 -0.330394D+00
      2   0.613594D+01 -0.170103D+02 -0.337884D+01  0.122547D+01  0.130785D+01
      3   0.686241D+01 -0.163579D+01  0.845345D+00 -0.187017D+01  0.632863D+00
               121           122           123           124           125 
      1   0.241284D+01 -0.123765D+00  0.475315D+00  0.172935D+01  0.406147D+01
      2   0.500102D+01 -0.709946D+00 -0.783251D+00 -0.346221D+01 -0.886395D+00
      3   0.129686D+01 -0.157817D+00 -0.597144D+00  0.925812D+00 -0.163222D+01
               126           127           128           129           130 
      1  -0.272446D+01  0.261297D+01 -0.197362D+01  0.398848D+01 -0.163428D+01
      2   0.467708D+01 -0.251578D+01  0.832058D+00 -0.394311D+00  0.101196D+01
      3   0.113509D+01 -0.858771D+01  0.143883D+01 -0.423752D+01  0.343825D+01
               131           132           133           134           135 
      1   0.182898D+01 -0.389534D+01  0.266652D+01 -0.233426D+01  0.849229D+01
      2  -0.111662D+01  0.952343D+00 -0.317361D+01  0.199395D+01 -0.269652D+01
      3  -0.537568D+01  0.282204D+01 -0.730453D+01  0.443921D+01 -0.598883D+01
               136           137           138           139           140 
      1  -0.262687D+00 -0.676331D+00  0.252879D+00  0.235682D+00 -0.343279D+01
      2  -0.193740D-01 -0.355701D-01  0.530428D+00 -0.821383D+00  0.321551D+01
      3  -0.102265D+01  0.630296D+00  0.301542D+00  0.444512D+01 -0.102379D+02
               141           142           143           144           145 
      1  -0.655500D+01  0.568621D+00 -0.378061D+01 -0.687794D+01  0.393884D+01
      2   0.245394D+01 -0.227867D+01  0.348267D+01  0.354748D+01 -0.756190D+01
      3  -0.452883D+01  0.259891D+01 -0.596793D+01 -0.563339D+01  0.833927D+01
               146           147           148           149           150 
      1   0.569526D+01 -0.133622D+01  0.493047D+01  0.899142D+01 -0.172631D+01
      2  -0.509885D+01 -0.124027D+01 -0.597758D+01 -0.809514D+01 -0.169817D+01
      3   0.550493D+01  0.125381D+01  0.890386D+01  0.104777D+02  0.269638D+01
               151           152           153           154           155 
      1  -0.928458D+00  0.100433D+01  0.121740D+01 -0.383120D+01  0.555940D+01
      2  -0.147667D+01 -0.789795D+00 -0.854201D+00 -0.858383D+01  0.374531D+01
      3  -0.111123D+01 -0.144729D+00  0.141122D+01 -0.520678D+00  0.438666D+00
               156           157           158           159           160 
      1  -0.210360D+01  0.459529D+01 -0.814275D+01  0.247822D+01 -0.215946D+01
      2  -0.351741D+01  0.598812D+01 -0.578818D+01  0.533857D+01 -0.482966D+01
      3   0.433294D-01  0.267903D+01 -0.119647D+01  0.102924D+01 -0.521714D+00
               161           162           163           164           165 
      1   0.475658D+01 -0.385179D+01 -0.922664D+00 -0.196085D+01  0.220748D+01
      2   0.359034D+01 -0.517942D+01  0.355019D+01  0.342902D+00  0.401259D+01
      3   0.270648D+00 -0.114520D+01 -0.208169D+01 -0.273100D+01  0.299147D+00
               166           167           168           169           170 
      1  -0.157075D+00  0.115248D+01  0.112336D+00  0.102196D+01  0.268857D+01
      2  -0.118327D+01 -0.154072D+01  0.308625D-03 -0.321169D+01  0.112412D-01
      3   0.586526D+00  0.198305D+01  0.131159D+01  0.174904D+01  0.175040D+01
               171           172           173           174           175 
      1  -0.266717D+01  0.259332D+01  0.116970D+01  0.424696D+01  0.771608D+00
      2  -0.310607D+01  0.279824D+01  0.622148D+00  0.674314D+01  0.100249D+01
      3  -0.747511D+00 -0.243991D+01 -0.936157D+00 -0.319509D+01  0.166717D+00
               176           177           178           179           180 
      1   0.234361D+01  0.185713D+01  0.509931D+01  0.421069D+01  0.118350D+02
      2   0.226269D+01  0.397567D+01  0.501150D+01  0.927094D-01  0.193201D+02
      3  -0.162561D+01 -0.310694D+01 -0.349477D+01 -0.549254D+01 -0.476132D+01
               181           182           183           184           185 
      1  -0.974519D+00 -0.523236D+00 -0.189285D+01 -0.386083D+00 -0.255697D+01
      2   0.131465D+01  0.308916D+01 -0.622454D+00  0.230646D+01  0.416815D+01
      3   0.924109D+01  0.131997D+02 -0.239702D+01  0.950848D+01  0.259199D+02
               186           187           188           189           190 
      1  -0.392525D+01  0.302966D+00 -0.271908D-01  0.127585D+01 -0.557387D+01
      2  -0.260771D+01 -0.564104D+00 -0.292103D+01  0.206271D+01 -0.957896D+01
      3  -0.425162D+01 -0.152630D+01 -0.301315D+01  0.284587D+01 -0.382000D+01
               191           192           193           194           195 
      1   0.226016D+01  0.498243D+01  0.252513D+01 -0.198281D+01 -0.210521D+01
      2   0.457036D+01  0.983105D+01  0.380494D+01 -0.300306D+01 -0.228293D+01
      3  -0.342687D+01  0.738225D+00  0.700258D-01  0.426816D+01  0.344189D+00
               196           197           198           199           200 
      1   0.463199D+01 -0.813710D+00 -0.362806D+01  0.309088D+00 -0.119715D+01
      2   0.778444D+01 -0.324309D+01 -0.716238D+01 -0.420300D+00  0.124926D+01
      3   0.840448D+00  0.377048D+01 -0.116855D+01  0.155299D+00 -0.987663D-01
               201           202           203           204           205 
      1  -0.563119D+00 -0.220212D+01 -0.533055D+01 -0.187224D+01 -0.567897D+01
      2  -0.368814D+00  0.236535D+01  0.939502D+00  0.716495D+00 -0.282195D+01
      3   0.864754D-01  0.331504D+01 -0.274755D+01  0.228104D+00 -0.145502D+01
               206           207           208           209           210 
      1   0.218539D+01 -0.864751D+00  0.103515D+01  0.158161D-01 -0.193586D+00
      2   0.148495D+00  0.563732D+00  0.215110D+01 -0.337777D+00  0.415211D+00
      3   0.654097D+00 -0.858120D+00  0.360394D+01  0.576354D+00 -0.267266D+00
               211           212           213           214           215 
      1  -0.314460D+00  0.769335D+00 -0.364809D+01 -0.199156D+01  0.363516D+00
      2  -0.308141D+00  0.324296D+01 -0.213269D+01 -0.401594D+01 -0.186735D+01
      3   0.602667D+01  0.138531D+02 -0.261097D+01 -0.212867D+01 -0.316481D+01
               216           217           218           219           220 
      1   0.473697D+00 -0.797775D-01 -0.380840D+00  0.160959D+01 -0.102269D+01
      2   0.495795D+00 -0.144709D+01  0.814591D+00 -0.211633D+01  0.156621D+01
      3   0.167363D+01 -0.874395D+00  0.291395D+01 -0.183029D+01  0.113232D+01
               221           222           223           224           225 
      1   0.114704D+01 -0.285494D+01 -0.161192D+01 -0.292061D+01  0.120715D+02
      2  -0.340870D+01  0.461321D+01  0.237066D-01  0.833351D+01 -0.230891D+02
      3  -0.516416D+01  0.345426D+01 -0.352896D+00  0.680466D+01 -0.880937D+01
               226           227           228           229           230 
      1  -0.214699D+01 -0.566287D+00 -0.238845D+01 -0.605478D+00 -0.599553D+00
      2   0.542042D+01  0.159235D+01  0.688666D+01  0.111404D+01  0.138150D+01
      3   0.392479D+01 -0.555355D+01  0.591181D+00  0.629331D+00 -0.952687D+00
               231           232           233           234           235 
      1  -0.139704D+01 -0.112086D+01 -0.385242D-01 -0.413344D+00 -0.727338D+00
      2   0.155420D+01  0.307277D+01  0.197323D+01  0.122232D+01  0.343835D+01
      3  -0.923164D+00  0.458536D+00 -0.202910D+01 -0.115814D+01 -0.590054D+01
               236           237           238           239           240 
      1   0.323863D+01  0.303293D+01  0.176102D+01 -0.450588D+01 -0.450141D+01
      2  -0.290876D+01 -0.321140D+01 -0.151087D+01  0.565102D+01  0.525461D+01
      3   0.112486D+02  0.480103D+01  0.693978D+01 -0.173829D+02 -0.658458D+01
               241           242           243 
      1   0.396223D+00 -0.398122D+01 -0.394477D+01
      2  -0.196776D+01  0.716168D+01  0.531288D+01
      3   0.376881D+01 -0.103041D+02 -0.886377D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.588708D+01  0.670534D+01  0.805055D+01  0.393063D+01  0.190475D+02
      2   0.538466D+01 -0.194686D+02 -0.118906D+02 -0.156262D+02 -0.108984D+02
      3  -0.112717D+02  0.127632D+02  0.384003D+01  0.116956D+02 -0.814914D+01
      4   0.805419D+01  0.652940D+01 -0.129567D+02  0.852020D+01 -0.293002D+01
      5   0.217426D+02 -0.130572D+02 -0.255306D+02 -0.131064D+02 -0.263503D+01
      6  -0.854590D+01 -0.706713D+01  0.120207D+02 -0.755803D+01 -0.631389D+01
                 6             7             8             9            10 
      1  -0.936796D+01  0.390572D+01 -0.118105D+02 -0.189145D+02 -0.323633D+01
      2  -0.391220D+00 -0.866244D+01  0.132102D+01  0.870092D+01 -0.588581D+00
      3   0.975918D+01  0.475672D+01  0.104894D+02  0.102135D+02  0.382491D+01
      4   0.760626D+01 -0.149555D+02  0.724512D+01  0.384912D+01 -0.141208D+02
      5   0.108026D+01 -0.246672D+02  0.567892D+01  0.715939D+01 -0.119414D+02
      6  -0.330515D+01  0.116636D+02 -0.300845D+01  0.654807D+01  0.833700D+01
                11            12            13            14            15 
      1  -0.916109D+01 -0.123301D+01 -0.704073D+00 -0.267463D+02  0.893753D+01
      2   0.126207D+02  0.126485D+01  0.258447D+01  0.122132D+02 -0.153773D+01
      3  -0.345966D+01 -0.318331D-01 -0.188040D+01  0.145331D+02 -0.739980D+01
      4  -0.141786D+02  0.122138D+02 -0.205288D+02 -0.175193D+02 -0.765648D+01
      5   0.117328D+02  0.150817D+02  0.139761D+02 -0.308070D+01  0.635962D+01
      6  -0.815977D+01 -0.214859D+01 -0.291509D+01  0.111597D+02 -0.138672D+01
                16            17            18            19            20 
      1  -0.176171D+01  0.144509D+02  0.159858D+02  0.351896D+02  0.795037D+01
      2  -0.560700D+01 -0.404216D+01 -0.108207D+02 -0.164247D+02 -0.997563D+01
      3   0.736872D+01 -0.104087D+02 -0.516510D+01 -0.187649D+02  0.202526D+01
      4   0.174976D+02 -0.147547D+02  0.187897D+01  0.102347D+02 -0.717190D+01
      5   0.224662D+02  0.184439D+01  0.993549D+01 -0.639232D+01 -0.208680D+01
      6  -0.307643D+01 -0.114236D+01 -0.852925D+01 -0.758765D+01 -0.687151D+00
                21            22            23            24            25 
      1   0.421738D+01  0.259601D+01  0.283409D+01 -0.307147D+01  0.189248D+02
      2   0.206825D+01 -0.414161D+01 -0.660554D+01  0.953564D+00  0.743539D+01
      3  -0.628563D+01  0.154560D+01  0.377146D+01  0.211790D+01 -0.263602D+02
      4  -0.431605D+01 -0.585621D+01 -0.246029D+01  0.441014D+01 -0.115820D+02
      5  -0.702208D+01 -0.542634D+01  0.111723D+01  0.438840D+01 -0.165704D+02
      6   0.399672D+00 -0.174410D+01 -0.399398D+01  0.268449D+01 -0.173369D+01
                26            27            28            29            30 
      1  -0.858171D+01  0.110694D+02 -0.113417D+03  0.105131D+02 -0.122573D+02
      2   0.490047D+01  0.131534D+02  0.470925D+02 -0.593445D+01  0.469227D+01
      3   0.368124D+01 -0.242228D+02  0.663245D+02 -0.457869D+01  0.756507D+01
      4   0.101519D+02  0.163582D+01  0.179625D+02 -0.101745D+02  0.966501D+00
      5   0.479868D+01 -0.152528D+02 -0.152551D+01 -0.116579D+01 -0.100529D+02
      6   0.391639D+01  0.131216D+01  0.782834D+01  0.265215D+01  0.192036D+01
                31            32            33            34            35 
      1   0.468302D+02 -0.744229D+01  0.208209D+01 -0.401087D+02 -0.133809D+01
      2  -0.222971D+02  0.291748D+01  0.667845D+00  0.118936D+02  0.318413D+01
      3  -0.245331D+02  0.452481D+01 -0.274993D+01  0.282151D+02 -0.184605D+01
      4  -0.154141D+02 -0.211298D+01  0.723516D+00  0.711631D+01 -0.391187D+01
      5   0.693362D+01  0.192020D+01  0.251270D+01 -0.715542D+01  0.351059D+00
      6   0.138908D+01  0.845053D+01 -0.989180D+00  0.378176D+00  0.366703D+01
                36            37            38            39            40 
      1  -0.299965D+02  0.160977D+03 -0.256949D+02  0.290975D+02 -0.227996D+02
      2   0.716407D-01 -0.697062D+02  0.114467D+02 -0.101409D+02  0.717127D+01
      3   0.299249D+02 -0.912709D+02  0.142482D+02 -0.189566D+02  0.156284D+02
      4   0.460074D+01 -0.477430D+02  0.146275D+02 -0.536435D+01  0.174927D+02
      5  -0.131021D+02  0.217596D+02 -0.160633D+01  0.194172D+02  0.285361D+01
      6   0.360584D+01 -0.914554D+01 -0.161184D+01 -0.269439D+01 -0.120313D+01
                41            42            43            44            45 
      1   0.129926D+02 -0.807704D+01  0.390092D+02 -0.934824D+01  0.784100D+01
      2  -0.111356D+02  0.264314D+01 -0.174976D+02  0.754053D+01 -0.739529D+01
      3  -0.185699D+01  0.543389D+01 -0.215116D+02  0.180771D+01 -0.445715D+00
      4   0.125252D+02 -0.496189D+01 -0.653820D+01 -0.640440D+01 -0.623271D+01
      5  -0.673958D+01 -0.287378D+01  0.282413D+02 -0.640989D+01  0.630341D+01
      6   0.427880D+01  0.431155D+01 -0.869460D+01  0.642994D+01  0.607318D+00
                46            47            48            49            50 
      1  -0.143066D+03  0.391986D+02 -0.250741D+02  0.521346D+02 -0.247709D+02
      2   0.640553D+02 -0.183100D+02  0.139044D+02 -0.325375D+02  0.425972D+01
      3   0.790105D+02 -0.208886D+02  0.111697D+02 -0.195971D+02  0.205111D+02
      4   0.682474D+02 -0.336860D+02  0.158279D+02 -0.397766D+02 -0.150444D+02
      5  -0.393067D+02  0.119577D+02 -0.228808D+02  0.226163D+02 -0.764481D+00
      6   0.154834D+02 -0.600067D+01  0.177013D+01  0.398306D+00  0.475984D+01
                51            52            53            54            55 
      1   0.140311D+02 -0.481876D+02  0.131831D+02 -0.150226D+02  0.158919D+03
      2  -0.111349D+02  0.231443D+02 -0.330286D+01  0.317047D+01 -0.769930D+02
      3  -0.289624D+01  0.250434D+02 -0.988020D+01  0.118522D+02 -0.819257D+02
      4  -0.640712D+00  0.286045D+02 -0.210485D+01  0.808267D+01 -0.671447D+02
      5   0.330163D+01 -0.831258D+01  0.598888D+01 -0.119204D+02  0.343763D+02
      6  -0.676254D+01  0.641958D+00  0.226807D+01  0.458900D+01 -0.809705D+01
                56            57            58            59            60 
      1  -0.406656D+02  0.252806D+02 -0.922924D+02  0.306931D+02 -0.134980D+02
      2   0.152062D+02 -0.154724D+02  0.375452D+02 -0.280777D+01  0.776473D+01
      3   0.254594D+02 -0.980813D+01  0.547472D+02 -0.278853D+02  0.573326D+01
      4   0.414511D+02 -0.120647D+02  0.696536D+02 -0.479492D+02  0.146485D+02
      5  -0.101144D+02  0.289537D+02 -0.228587D+02  0.121381D+02 -0.164105D+02
      6   0.407769D+01 -0.582724D+01  0.885873D+01 -0.630497D+01  0.114976D+02
                61            62            63            64            65 
      1   0.451799D+02 -0.646730D+01  0.252160D+02 -0.238070D+02  0.279982D+02
      2  -0.261032D+02  0.442031D+01 -0.188596D+02  0.737119D+01 -0.257002D+02
      3  -0.190767D+02  0.204699D+01 -0.635639D+01  0.164358D+02 -0.229795D+01
      4  -0.192639D+02  0.106054D+02 -0.213567D+02  0.221761D+02  0.800759D+01
      5   0.471725D+02 -0.200657D+02  0.302365D+02  0.148713D+02 -0.159683D+02
      6  -0.930260D+01  0.109398D+02 -0.827702D+01 -0.104823D+02  0.149052D+02
                66            67            68            69            70 
      1   0.104557D+02  0.207414D+02  0.288050D+02 -0.179734D+02  0.174465D+02
      2   0.563329D+01 -0.172633D+02 -0.252044D+02  0.109378D+02  0.481338D+01
      3  -0.160890D+02 -0.347810D+01 -0.360058D+01  0.703558D+01 -0.222599D+02
      4  -0.205331D+02  0.898687D+01  0.830804D+00  0.102496D+02 -0.257439D+02
      5  -0.175236D+02 -0.172324D+02  0.824372D+01 -0.108477D+02 -0.238763D+02
      6   0.614218D+01  0.122698D+02 -0.204391D+00  0.346515D+01  0.825612D+01
                71            72            73            74            75 
      1  -0.205226D+02 -0.225439D+02  0.596859D+00 -0.137762D+02 -0.208619D+02
      2   0.105926D+02  0.237412D+02 -0.806423D+00  0.108362D+02  0.127043D+02
      3   0.993002D+01 -0.119728D+01  0.209564D+00  0.294007D+01  0.815751D+01
      4   0.144163D+02  0.182707D+01 -0.119197D+02  0.600099D+01 -0.124312D+01
      5  -0.493939D+01 -0.285050D+02 -0.101710D+02  0.317140D+01 -0.216231D+02
      6   0.383799D+01  0.670709D+01 -0.381510D+01  0.700345D+01 -0.674197D+01
                76            77            78            79            80 
      1  -0.173746D+02  0.173986D+02  0.747855D+01 -0.218992D+02  0.249081D+01
      2   0.177018D+02 -0.204577D+01 -0.535650D+01  0.129900D+02 -0.202525D+01
      3  -0.327192D+00 -0.153528D+02 -0.212205D+01  0.890915D+01 -0.465553D+00
      4   0.139828D+02  0.356715D+02  0.436961D+01  0.506958D+01  0.947179D+01
      5   0.104472D+02 -0.171486D+01 -0.113394D+02 -0.360675D+02 -0.154764D+02
      6   0.325564D+01 -0.976912D+00 -0.438193D+01 -0.131001D+02 -0.558899D+01
                81            82            83            84            85 
      1  -0.232452D+02 -0.203130D+02 -0.616832D+00  0.148643D+02  0.274609D+01
      2   0.155687D+02  0.178279D+02  0.652646D+01 -0.145051D+02  0.196889D+01
      3   0.767652D+01  0.248513D+01 -0.590963D+01 -0.359187D+00 -0.471498D+01
      4  -0.202323D+02  0.445598D+00  0.104876D+02  0.262274D+01  0.103437D+02
      5   0.101872D+02  0.686384D+01 -0.273653D+01  0.135394D+01 -0.608170D+01
      6   0.821401D+01  0.974741D+01 -0.672284D+01  0.284184D+01 -0.388335D+01
                86            87            88            89            90 
      1   0.991245D+01  0.459374D+01  0.177466D+02  0.107658D+02  0.143080D+02
      2  -0.452527D+01 -0.865941D+01 -0.166338D+02 -0.172221D+02 -0.163183D+02
      3  -0.538717D+01  0.406568D+01 -0.111288D+01  0.645631D+01  0.201031D+01
      4  -0.263071D+01 -0.125787D+02  0.128745D+01 -0.179477D+02 -0.258676D+01
      5  -0.642262D+01 -0.273825D+01  0.376965D+01 -0.491646D+01 -0.250373D+00
      6  -0.171010D+02 -0.137832D+02  0.345635D+01 -0.190234D+02 -0.272840D+01
                91            92            93            94            95 
      1  -0.580823D+02 -0.291825D+02 -0.145562D+02 -0.115181D+02  0.192948D+02
      2   0.250380D+02  0.230014D+02  0.111915D+02  0.137816D+02 -0.335266D+01
      3   0.330443D+02  0.618111D+01  0.336468D+01 -0.226353D+01 -0.159422D+02
      4  -0.251792D+02  0.158894D+02 -0.493844D+01  0.222364D+02  0.187372D+02
      5  -0.127383D+02 -0.213878D+01  0.126558D+02 -0.211413D+01 -0.868352D+01
      6  -0.622985D+01  0.201603D+01  0.768775D+01 -0.442028D+00 -0.903090D+01
                96            97            98            99           100 
      1   0.337665D+01 -0.219191D+02  0.519243D+00  0.203422D+02  0.505981D+02
      2  -0.763353D+01  0.119319D+02 -0.102714D+02 -0.873951D+01 -0.261936D+02
      3   0.425688D+01  0.998724D+01  0.975213D+01 -0.116027D+02 -0.244045D+02
      4  -0.684585D+01 -0.682986D+01 -0.614913D+01 -0.128371D+02  0.227362D+02
      5  -0.924617D+01  0.501087D+01 -0.152368D+02  0.251835D+02  0.227035D+02
      6  -0.339730D+01  0.279357D+01 -0.109381D+02  0.131525D+02  0.532710D+01
               101           102           103           104           105 
      1   0.924686D+01  0.188733D+02  0.277752D+01  0.407678D+01 -0.702603D+00
      2  -0.278759D+01 -0.104818D+02  0.290942D+00 -0.103878D+01  0.166065D+01
      3  -0.645928D+01 -0.839148D+01 -0.306847D+01 -0.303800D+01 -0.958047D+00
      4   0.130654D+02  0.752204D+01  0.101117D+02  0.380882D+01  0.500852D+01
      5   0.355675D+01  0.187322D+02  0.126689D+01  0.510130D+01  0.279084D+01
      6   0.181674D+01  0.527142D+01  0.226336D+01  0.231005D+01  0.384574D+01
               106           107           108           109           110 
      1   0.312865D+02  0.314730D+01  0.166977D+02  0.219419D+02  0.811729D+01
      2  -0.178488D+02  0.590415D+00 -0.127128D+02 -0.125107D+02 -0.376298D+01
      3  -0.134377D+02 -0.373772D+01 -0.398486D+01 -0.943120D+01 -0.435432D+01
      4   0.140156D+02  0.107716D+02  0.115515D+02  0.171600D+02  0.105159D+02
      5   0.254672D+02  0.726149D+01  0.205308D+02 -0.164227D+02 -0.700589D+01
      6   0.723585D+01  0.468104D+01  0.611551D+01 -0.717800D+01 -0.433042D+01
               111           112           113           114           115 
      1  -0.778141D+01  0.678538D+01 -0.946087D+00 -0.116905D+01 -0.171587D+02
      2   0.537227D+01 -0.227179D+01  0.380427D+01 -0.803707D+00  0.125059D+02
      3   0.240913D+01 -0.451360D+01 -0.285818D+01  0.197276D+01  0.465279D+01
      4  -0.883959D+01  0.129862D+02  0.990702D+01 -0.106354D+02 -0.198512D+02
      5   0.179655D+02 -0.759408D+01 -0.920681D+01  0.893467D+01  0.315596D+02
      6   0.629910D+01 -0.609016D+01 -0.672103D+01  0.834857D+01  0.132912D+02
               116           117           118           119           120 
      1  -0.264582D+01  0.892801D+01 -0.133563D+01  0.309017D+00 -0.152152D+01
      2  -0.194883D+00 -0.138501D+02 -0.546752D+01  0.918702D+00 -0.418739D+01
      3   0.284070D+01  0.492208D+01  0.680314D+01 -0.122772D+01  0.570891D+01
      4  -0.186110D+02  0.189508D+02 -0.126902D+00  0.401189D+01  0.455076D+00
      5   0.148052D+02 -0.358318D+02  0.805414D+01 -0.906802D+00  0.119207D+02
      6   0.114539D+02 -0.170896D+02  0.298177D+00  0.134345D+01  0.341572D-01
               121           122           123           124           125 
      1   0.582016D+01 -0.461423D+01  0.278640D+01 -0.858855D+01  0.615136D+00
      2  -0.152311D+01 -0.203551D+00  0.119869D+01 -0.556704D+01  0.322939D+01
      3  -0.429705D+01  0.481778D+01 -0.398509D+01  0.141556D+02 -0.384453D+01
      4   0.375595D+01  0.537814D+00  0.288403D+01  0.120478D+01  0.380061D+01
      5  -0.142155D+01  0.301213D+01 -0.224322D+01  0.166853D+02 -0.278480D+01
      6   0.157297D+01 -0.163144D+01  0.678275D+01  0.145844D+01  0.469168D+01
               126           127           128           129           130 
      1  -0.233652D+02 -0.283060D+01  0.740912D+01 -0.545442D+01  0.455228D+01
      2  -0.185566D+02  0.274338D+01 -0.961937D+01  0.509205D+01 -0.535572D+01
      3   0.419218D+02  0.872136D-01  0.221025D+01  0.362371D+00  0.803442D+00
      4  -0.558066D+00 -0.519597D+01  0.251145D+00 -0.222018D+01  0.204496D+01
      5   0.229437D+02 -0.401299D+00  0.618468D+00 -0.749591D+00  0.446849D+00
      6   0.512096D+00 -0.544407D+01  0.396838D+01 -0.569732D+01  0.265541D+01
               131           132           133           134           135 
      1  -0.127688D+02  0.484682D+01 -0.896341D+01  0.948229D+01 -0.132416D+02
      2   0.151084D+02 -0.492814D+01  0.628267D+01 -0.107494D+02  0.900530D+01
      3  -0.233967D+01  0.813122D-01  0.268074D+01  0.126707D+01  0.423630D+01
      4   0.121442D+00  0.829279D+00 -0.493693D+01 -0.654150D+00 -0.803633D+00
      5  -0.780384D+00  0.160318D+01 -0.167220D+00  0.246644D+01 -0.403184D+01
      6  -0.466985D+01  0.864199D+01 -0.450673D+01  0.111558D+02 -0.126853D+02
               136           137           138           139           140 
      1  -0.586308D+00  0.340643D+01  0.374707D+00  0.209150D+01 -0.304576D+02
      2   0.215369D+01 -0.187568D+01  0.581828D+00  0.383615D+00  0.406461D+02
      3  -0.156738D+01 -0.153075D+01 -0.956535D+00 -0.247511D+01 -0.101885D+02
      4   0.508270D+01  0.752806D+01  0.323222D+01  0.796805D+01  0.202016D+02
      5   0.975543D+00  0.303132D+01  0.363336D+01  0.248940D+01  0.879087D+01
      6   0.328747D+01  0.108973D+01 -0.115269D+00  0.164876D+01  0.261967D+02
               141           142           143           144           145 
      1  -0.146334D+02 -0.110643D-02 -0.212648D+02 -0.177981D+02 -0.732724D+01
      2   0.161371D+02  0.217370D+01  0.227401D+02  0.126945D+02  0.670172D+01
      3  -0.150370D+01 -0.217259D+01 -0.147531D+01  0.510354D+01  0.625523D+00
      4   0.946009D+01  0.520889D+01  0.144619D+02  0.900213D+01  0.256077D+01
      5   0.590188D+01  0.334116D+01  0.941484D+01  0.818674D+01  0.376385D+01
      6   0.188993D+02  0.917304D+00  0.248662D+02  0.212772D+02  0.583749D+01
               146           147           148           149           150 
      1  -0.107939D+02 -0.642956D+01 -0.881926D+01 -0.214111D+02 -0.662684D+01
      2   0.119548D+02  0.174613D+01  0.103451D+02  0.246162D+02  0.179539D+01
      3  -0.116093D+01  0.468343D+01 -0.152580D+01 -0.320510D+01  0.483145D+01
      4   0.749021D-02  0.108956D+01  0.240472D+01 -0.606640D+01 -0.228622D+01
      5   0.435279D+01  0.243948D+01  0.632930D+01  0.266543D+01 -0.213946D+01
      6   0.979632D+01  0.374453D+01  0.695770D+01  0.174974D+02  0.914119D+01
               151           152           153           154           155 
      1  -0.185085D+01 -0.605735D+00 -0.220047D+01 -0.585783D+01  0.264994D+01
      2  -0.141290D+00 -0.178508D+01  0.756667D+00 -0.178173D+01  0.314939D+01
      3   0.199214D+01  0.239082D+01  0.144381D+01  0.763955D+01 -0.579932D+01
      4   0.124339D+01  0.336057D+00 -0.455059D+00  0.262199D+01 -0.295737D+01
      5   0.283141D+01 -0.254631D+00  0.113988D-01  0.194565D+01 -0.671663D+00
      6   0.168667D+01  0.506186D+01  0.178302D+01 -0.234660D+01  0.560718D+01
               156           157           158           159           160 
      1  -0.912895D+01  0.442303D+01 -0.910982D+01  0.101258D+02 -0.525410D+01
      2  -0.219672D+01  0.137387D+01  0.160382D+01  0.446082D+01 -0.140326D+01
      3   0.113257D+02 -0.579690D+01  0.750600D+01 -0.145867D+02  0.665736D+01
      4   0.320518D+01 -0.320853D+01  0.710108D+01 -0.439731D+01  0.316543D+01
      5   0.315040D+01 -0.201846D+01  0.329812D+00  0.371828D+01  0.526214D+01
      6  -0.289244D+01  0.409864D+01 -0.872562D+01  0.578758D+01 -0.327424D+01
               161           162           163           164           165 
      1   0.602062D+01 -0.971595D+01  0.164416D+02 -0.166577D+01 -0.330331D+01
      2   0.252025D+01 -0.659978D+01 -0.176232D+02  0.311693D+01  0.154152D+02
      3  -0.854087D+01  0.163157D+02  0.118164D+01 -0.145115D+01 -0.121119D+02
      4  -0.326922D+01  0.343402D+01 -0.133718D+02  0.100974D+02  0.100998D+02
      5  -0.375191D+00 -0.200330D+01 -0.330893D+02  0.106649D+02  0.313514D+02
      6   0.640260D+01 -0.454484D+01  0.862244D+01 -0.759826D+01 -0.100327D+02
               166           167           168           169           170 
      1  -0.114016D+01 -0.173491D+01 -0.130247D+01 -0.384684D+01 -0.105391D+01
      2   0.194285D+01  0.469559D+00 -0.723004D+00  0.124358D+02 -0.184409D+01
      3  -0.802690D+00  0.126536D+01  0.202548D+01 -0.858899D+01  0.289801D+01
      4   0.743715D+01 -0.589729D+01 -0.699237D+01  0.826199D+01 -0.631703D+01
      5   0.643018D+01 -0.714309D+01 -0.617409D+01  0.244725D+02 -0.844616D+01
      6  -0.485359D+01  0.609385D+01  0.788384D+01 -0.760715D+01  0.763947D+01
               171           172           173           174           175 
      1  -0.272267D+01  0.155646D+02 -0.230042D+01  0.911329D+01  0.465483D+01
      2  -0.163108D+02 -0.113247D+02  0.102463D+01 -0.104211D+02 -0.345765D+01
      3   0.190335D+02 -0.423995D+01  0.127579D+01  0.130777D+01 -0.119718D+01
      4  -0.847575D+01 -0.602843D+01  0.362560D+01 -0.129566D+01  0.107981D+01
      5  -0.285904D+02  0.139954D+02  0.101550D+01  0.191563D+02  0.624527D+01
      6   0.106259D+02 -0.296670D+01  0.185476D+00 -0.580653D+01 -0.363216D+00
               176           177           178           179           180 
      1  -0.182760D+01  0.450803D+01  0.135500D+02  0.272267D+01  0.849815D+01
      2   0.178504D+00 -0.698653D+01 -0.143587D+02 -0.507283D+01 -0.240446D+02
      3   0.164910D+01  0.247850D+01  0.808713D+00  0.235016D+01  0.155464D+02
      4   0.350815D+01  0.405992D+01 -0.501673D+01  0.868787D+01 -0.496058D+01
      5   0.440147D+01  0.884236D+01  0.264551D+02 -0.100962D+01  0.458471D+02
      6   0.336998D+00  0.171765D+01 -0.806902D+01  0.540899D+01 -0.163909D+02
               181           182           183           184           185 
      1  -0.833904D+01 -0.203943D+02  0.243831D+01 -0.149655D+02 -0.337238D+02
      2   0.865360D+01  0.227728D+02 -0.263937D+01  0.113917D+02  0.459377D+02
      3  -0.314563D+00 -0.237853D+01  0.201065D+00  0.357376D+01 -0.122139D+02
      4   0.797441D+00 -0.736848D+01  0.338097D+01  0.509193D+01 -0.267288D+02
      5  -0.288244D+01  0.176281D+01 -0.961205D+00 -0.100137D+01  0.234228D+01
      6  -0.111396D+01 -0.644622D+01  0.460304D+01 -0.266576D+01 -0.119793D+02
               186           187           188           189           190 
      1   0.656395D+01 -0.649261D-01  0.615973D+01 -0.333296D+01  0.601658D+02
      2  -0.581995D+01 -0.142817D+01 -0.432372D+01  0.239228D+01 -0.235697D+02
      3  -0.743995D+00  0.149310D+01 -0.183601D+01  0.940676D+00 -0.365962D+02
      4   0.345393D+01  0.210698D+01  0.109722D+01 -0.315651D+01 -0.402048D+02
      5  -0.422858D+01  0.309809D+01 -0.330377D+01  0.418137D+01 -0.139849D+02
      6   0.858560D+01  0.877331D+00  0.779607D+01 -0.402109D+01  0.698606D+01
               191           192           193           194           195 
      1  -0.192234D+02 -0.143032D+02 -0.120642D+02  0.484752D+01  0.400776D+01
      2   0.351050D+01  0.449075D+01  0.600249D+00  0.506042D+01 -0.820044D-01
      3   0.157129D+02  0.981245D+01  0.114639D+02 -0.990794D+01 -0.392576D+01
      4   0.237971D+02  0.101785D+02  0.193579D+02 -0.162967D+02 -0.660926D+01
      5   0.562998D+01  0.151939D+02  0.443165D+01 -0.473080D+01 -0.249286D+01
      6  -0.379589D+01 -0.727073D+01 -0.363533D+01  0.184238D+01  0.350201D+01
               196           197           198           199           200 
      1  -0.275361D+02  0.888669D+01  0.121285D+02  0.242156D+00  0.154039D+01
      2   0.953859D+01  0.556604D-01 -0.740177D+01 -0.680890D+00 -0.424849D-01
      3   0.179975D+02 -0.894235D+01 -0.472670D+01  0.438734D+00 -0.149791D+01
      4   0.219375D+02 -0.168406D+02 -0.961637D+01  0.336631D+01  0.508453D+01
      5   0.175912D+02 -0.652805D+01 -0.120795D+02 -0.105515D+01 -0.182380D+01
      6  -0.830341D+01  0.463222D+01  0.660613D+01 -0.227854D+01 -0.581466D+00
               201           202           203           204           205 
      1  -0.131099D+01  0.240277D+01 -0.127750D+02  0.590709D+01 -0.140828D+01
      2   0.505973D+00 -0.636988D+00  0.128385D+02 -0.243446D+01  0.291149D+01
      3   0.805015D+00 -0.176578D+01 -0.634566D-01 -0.347264D+01 -0.150321D+01
      4  -0.945555D+00  0.520683D+01  0.894092D+01 -0.294598D+01 -0.109256D+01
      5   0.125365D+01 -0.230594D+01 -0.376124D+01  0.249040D+01  0.199510D+01
      6   0.401379D+00 -0.660222D+00 -0.108397D+02  0.645052D+01  0.213404D+01
               206           207           208           209           210 
      1   0.479334D+01 -0.105088D+01 -0.835705D+00 -0.163646D+01  0.348285D+00
      2  -0.257314D+01  0.652461D+00  0.253771D+01  0.114548D+01 -0.144536D+00
      3  -0.222020D+01  0.398417D+00 -0.170201D+01  0.490979D+00 -0.203748D+00
      4  -0.124130D+01  0.467320D+00 -0.138377D+01  0.510882D+01 -0.113768D+01
      5   0.167334D+01 -0.216224D+00  0.978259D+00 -0.585183D+00  0.776987D+00
      6   0.444535D+01 -0.345587D+01 -0.799748D+00  0.114808D+01 -0.871191D-01
               211           212           213           214           215 
      1  -0.525552D+01 -0.206061D+02  0.323961D+01  0.254443D+01  0.494165D+01
      2   0.258889D+01  0.265211D+02 -0.310831D+01 -0.312929D+00 -0.538843D+01
      3   0.266663D+01 -0.591499D+01 -0.131295D+00 -0.223150D+01  0.446782D+00
      4   0.330776D+01 -0.199028D+02  0.310727D+01 -0.156593D+01  0.531464D+01
      5  -0.586884D+00  0.239382D+01 -0.241512D+01 -0.102837D+01 -0.212307D+01
      6   0.457772D+00 -0.189900D+01  0.485210D+01  0.171256D+01  0.345165D+01
               216           217           218           219           220 
      1  -0.384877D+01  0.460094D+01  0.614500D+01 -0.596466D+01  0.497452D+01
      2   0.299225D+01 -0.355489D+01 -0.473996D+01  0.192393D+01 -0.259573D+01
      3   0.856512D+00 -0.104605D+01 -0.140504D+01  0.404073D+01 -0.237880D+01
      4  -0.260238D+01  0.205273D+01 -0.320106D+01 -0.106146D+01  0.267432D+01
      5   0.160126D+01 -0.290504D+01  0.363464D+00 -0.833573D+00 -0.338541D+00
      6  -0.215271D+01 -0.221889D+01  0.115301D+01 -0.279422D+01 -0.859565D+00
               221           222           223           224           225 
      1  -0.781668D+01  0.455291D+01 -0.917215D+01  0.500628D+01 -0.168372D+02
      2   0.636680D+01 -0.352250D+01  0.474550D+01 -0.302064D+01 -0.359741D+01
      3   0.144988D+01 -0.103042D+01  0.442665D+01 -0.198564D+01  0.204346D+02
      4   0.796831D+01 -0.601394D+01 -0.994769D+01 -0.160031D+02  0.138590D+02
      5  -0.645886D+01  0.889186D+01  0.886931D+01  0.159389D+02 -0.433452D+02
      6  -0.537878D+01  0.957961D+01  0.311303D+01  0.135664D+02 -0.233921D+02
               226           227           228           229           230 
      1   0.864578D+02  0.206095D+02  0.611352D+01  0.816514D+01  0.756938D+01
      2  -0.392458D+02 -0.545251D+01 -0.269411D+01  0.802430D-02 -0.242539D+00
      3  -0.472120D+02 -0.151570D+02 -0.341942D+01 -0.817317D+01 -0.732684D+01
      4   0.434013D+02  0.234695D+02  0.343689D+01  0.148965D+02  0.932964D+01
      5   0.332313D+01  0.119484D+01  0.126990D+02  0.768586D+00  0.193404D+01
      6   0.298327D+01  0.625501D+00  0.444677D+01  0.253741D-01  0.108463D+01
               231           232           233           234           235 
      1   0.310704D+00  0.128647D+02  0.283681D+01  0.720232D+01 -0.553145D+01
      2   0.957341D+00 -0.629121D+01  0.193771D+00 -0.437552D+01  0.540339D+01
      3  -0.126804D+01 -0.657346D+01 -0.303058D+01 -0.282679D+01  0.128062D+00
      4   0.231601D+01  0.725688D+01  0.524990D+01  0.636236D+01 -0.672018D+00
      5   0.238892D+01  0.117553D+02  0.500475D+01  0.257009D+01  0.428841D+01
      6   0.231108D+01  0.384375D+01  0.320377D+01  0.735448D+00  0.351183D+01
               236           237           238           239           240 
      1   0.150570D+02  0.905341D+01  0.154349D+02 -0.212929D+02 -0.881698D+01
      2  -0.154338D+02 -0.636314D+01 -0.102269D+02  0.266630D+02  0.972551D+01
      3   0.376798D+00 -0.269028D+01 -0.520795D+01 -0.537005D+01 -0.908536D+00
      4  -0.996025D+01 -0.479035D+00  0.250699D+01  0.201581D+02  0.626276D+01
      5  -0.234982D+01 -0.569792D+01 -0.314834D+01  0.773155D+01  0.994419D+01
      6  -0.438666D+01 -0.547450D+01 -0.215264D+01  0.859537D+01  0.857763D+01
               241           242           243 
      1   0.107128D+02 -0.102740D+02 -0.129538D+02
      2  -0.549706D+01  0.126369D+02  0.810974D+01
      3  -0.521571D+01 -0.236292D+01  0.484406D+01
      4   0.334743D+01  0.125988D+02  0.837244D+01
      5  -0.936124D+00  0.104517D+02  0.707630D+01
      6  -0.198325D+01  0.110435D+02  0.771144D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x         -0.136998D+01     -0.348215D+01     -0.116152D+02
   y          0.776975D+00      0.197487D+01      0.658747D+01
   z         -0.437281D+00     -0.111146D+01     -0.370743D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.156905D+03      0.232509D+02      0.258702D+02
   yx        -0.462895D+01     -0.685940D+00     -0.763211D+00
   yy         0.114848D+03      0.170188D+02      0.189360D+02
   zx         0.596254D+01      0.883557D+00      0.983090D+00
   zy        -0.288982D+01     -0.428228D+00     -0.476467D+00
   zz         0.971737D+02      0.143997D+02      0.160218D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130327D+03      0.193125D+02      0.214880D+02
   aniso      0.599777D+02      0.888779D+01      0.988899D+01
   xx         0.167263D+03      0.247858D+02      0.275779D+02
   yx        -0.619137D+01     -0.917467D+00     -0.102082D+01
   yy         0.120858D+03      0.179093D+02      0.199268D+02
   zx         0.682530D+01      0.101141D+01      0.112534D+01
   zy        -0.316448D+01     -0.468927D+00     -0.521752D+00
   zz         0.102860D+03      0.152423D+02      0.169593D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.25828751         -1.60403783          2.31617098
     6         -1.72098024          0.55428703          3.44641798
     6          0.26591024          1.68261315          1.52388986
     6          1.43187682         -0.02015056         -0.36939875
     6          1.13284566          0.11599839         -2.87029308
     6          2.28446542         -1.62000062         -4.72581015
     8          1.89301693         -1.31764368         -6.97168727
     6         -0.69457599         -0.15382937          6.02980068
     6         -3.14392032          3.11696354          3.24241318
     6         -1.68826356          3.71295013          0.78045115
     6          3.93975388         -3.76686357         -3.80415890
     1         -2.62719622          4.39587902          4.77417625
     1         -5.19824159          3.01839374          3.12474761
     1          1.77701792          2.54479182          2.64517050
     1         -2.76358812          3.18124153         -0.89227968
     1         -0.98924335          5.63085893          0.52448708
     1         -2.12793452         -3.32245080          2.14516953
     1         -3.97308384         -1.13885836          0.43952474
     1         -4.87627538         -2.02696389          3.52651795
     1          0.38898263          1.39678099          6.85383386
     1          0.54102174         -1.80609607          5.91376835
     1         -2.23151403         -0.61661695          7.33026176
     1          2.61443634         -1.50818162          0.40862760
     1         -0.02314221          1.58102255         -3.71462694
     1          5.56453707         -3.04397450         -2.75734295
     1          4.59671110         -4.83960913         -5.42816625
     1          2.89043963         -5.01265132         -2.53726585

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163455D+01      0.415461D+01      0.138583D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.106560D+03      0.157905D+02      0.175694D+02
   yx        -0.120329D+02     -0.178309D+01     -0.198395D+01
   yy         0.112143D+03      0.166178D+02      0.184898D+02
   zx        -0.145664D+02     -0.215852D+01     -0.240168D+01
   zy         0.922995D+01      0.136774D+01      0.152181D+01
   zz         0.150225D+03      0.222610D+02      0.247687D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130327D+03      0.193125D+02      0.214880D+02
   aniso      0.599777D+02      0.888779D+01      0.988899D+01
   xx         0.112269D+03      0.166365D+02      0.185106D+02
   yx        -0.121480D+02     -0.180015D+01     -0.200293D+01
   yy         0.117745D+03      0.174480D+02      0.194136D+02
   zx        -0.155473D+02     -0.230387D+01     -0.256340D+01
   zy         0.990952D+01      0.146844D+01      0.163386D+01
   zz         0.160967D+03      0.238529D+02      0.265399D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-34\Freq\RwB97XD\Gen\C10H16O1\PIERPA\12-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
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 HE THAT RISETH LATE MUST TROT ALL DAY.

                  -- BENJAMIN FRANKLIN
 Job cpu time:       0 days  9 hours 39 minutes 25.0 seconds.
 Elapsed time:       0 days  1 hours 12 minutes 37.4 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:24:55 2021.
